INH1

CAT: 0024-sc-295181Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-295181Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

313553-47-8

Chemical Information

N-(4-(2,4-Dimethylphenyl)-2-thiazolyl)benzamide

CAS Number	313553-47-8
PubChem CID	959043
IUPAC Name	N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
Molecular Formula	C18H16N2OS
Molecular Weight	308.4
XLogP	4.5
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	383

SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)

InChIKey

JPMOKRWIYQGMJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 313553-47-8

CID: 959043

Formula: C18H16N2OS

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	308.09833431
Monoisotopic Mass	308.09833431
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	383
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

Catalog	Name
sc-488583	INH6