2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C19H15N3OS — CID 146189979

IUPAC2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2sc(NC(=O)CC#N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)22-19(24-18)21-16(23)11-12-20/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyDKGPKNJXSGPGSQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.64
Rot. Bonds4

About 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 146189979) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID146189979
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2sc(NC(=O)CC#N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)22-19(24-18)21-16(23)11-12-20/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyDKGPKNJXSGPGSQ-UHFFFAOYSA-N
XLogP4.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
CID 168523125
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2481015
2-cyano-3-(3,4-dihydroxyphenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 146189984

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 146189979) is 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2sc(NC(=O)CC#N)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DKGPKNJXSGPGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-7-9-15(10-8-13)18-17(14-5-3-2-4-6-14)22-19(24-18)21-16(23)11-12-20/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146189979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).