3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

C19H15N3OS — CID 127047477

IUPAC3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)19(23)21-10-9-18-22-17(13-24-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyHDGPLWDXNGIQSG-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.65
Rot. Bonds5

About 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 127047477) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID127047477
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)19(23)21-10-9-18-22-17(13-24-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyHDGPLWDXNGIQSG-UHFFFAOYSA-N
XLogP3.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1,4-dimethylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide
CID 11641509
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 785022
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 3734285
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 127047477) is 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is HDGPLWDXNGIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)19(23)21-10-9-18-22-17(13-24-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23).
What are the key properties of 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 333.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 127047477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).