Compound Fr13314

CAT: 0013-GTR19269909-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19269909-02Size:5 mg

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Description

Compound Fr13314, with CAS No. 32002-72-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13314 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

CAS Number

32002-72-5

Smiles

Cc1nc (c (s1) C (O) =O) -c1ccccc1

Molecular Formula

C11H9NO2S

Molecular Weight

219.26

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-methyl-4-phenyl-1,3-thiazole-5-carboxylic Acid

CAS Number	32002-72-5
PubChem CID	7131132
IUPAC Name	2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid
Molecular Formula	C11H9NO2S
Molecular Weight	219.26
XLogP	2.9
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

CC1=NC(=C(S1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C11H9NO2S/c1-7-12-9(10(15-7)11(13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChIKey

APXSARIYDLVPAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32002-72-5

CID: 7131132

Formula: C11H9NO2S

MW: 219.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	219.26
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	219.03539970
Monoisotopic Mass	219.03539970
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19270076-01	Compound Fr14314
GTR19269785-01	Compound Fr12314
GTR19269919-01	Compound Fr13394
GTR19269908-01	Compound Fr13310
GTR19269940-01	Compound Fr13618
GTR19269926-01	Compound Fr13454
GTR19269921-01	Compound Fr13416
GTR19269911-01	Compound Fr13326
GTR19269910-01	Compound Fr13322
GTR19269894-01	Compound Fr13218

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090

Compound Fr13314

Chemical Information

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