BML-259

CAT: 0127-BUP10666-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10666-01Size:5 mg

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CAS Number

267654-00-2

Synonyms

CAY10554

Purity

=98%

Smiles

CC(C)c1cnc(NC(=O)Cc2ccccc2)s1

Chemical Information

2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide

2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide is a member of acetamides.

CAS Number	267654-00-2
PubChem CID	16760027
IUPAC Name	2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
Molecular Formula	C14H16N2OS
Molecular Weight	260.36
XLogP	3.2
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	277

SMILES

CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)

InChIKey

IGRZXNLKVUEFDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 267654-00-2

CID: 16760027

Formula: C14H16N2OS

MW: 260.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.36
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	260.09833431
Monoisotopic Mass	260.09833431
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	277
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