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

C19H15N3OS — CID 127046143

IUPAC4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3OS/c20-12-14-6-8-15(9-7-14)18(23)21-11-10-17-13-24-19(22-17)16-4-2-1-3-5-16/h1-9,13H,10-11H2,(H,21,23)
InChIKeyZFYHAPRHSLJXGK-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.65
Rot. Bonds5

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

4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 127046143) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID127046143
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3OS/c20-12-14-6-8-15(9-7-14)18(23)21-11-10-17-13-24-19(22-17)16-4-2-1-3-5-16/h1-9,13H,10-11H2,(H,21,23)
InChIKeyZFYHAPRHSLJXGK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperidin-4-yloxy-1,3-thiazol-4-yl)benzamide
CID 11605163
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
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 127046143) is 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is N#Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ZFYHAPRHSLJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-12-14-6-8-15(9-7-14)18(23)21-11-10-17-13-24-19(22-17)16-4-2-1-3-5-16/h1-9,13H,10-11H2,(H,21,23).
What are the key properties of 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-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 4-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 127046143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).