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

C17H11N3OS — CID 8795282

IUPAC3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C17H11N3OS/c18-11-12-2-1-3-14(10-12)16(21)20-15-6-4-13(5-7-15)17-19-8-9-22-17/h1-10H,(H,20,21)
InChIKeyBHDJALODZIPYLF-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.93
Rot. Bonds3

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

3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 8795282) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID8795282
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C17H11N3OS/c18-11-12-2-1-3-14(10-12)16(21)20-15-6-4-13(5-7-15)17-19-8-9-22-17/h1-10H,(H,20,21)
InChIKeyBHDJALODZIPYLF-UHFFFAOYSA-N
XLogP3.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55875358
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 8795282) is 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is BHDJALODZIPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c18-11-12-2-1-3-14(10-12)16(21)20-15-6-4-13(5-7-15)17-19-8-9-22-17/h1-10H,(H,20,21).
What are the key properties of 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 305.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 8795282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).