4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H9N3OS — CID 49346148

IUPAC4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCc2cscn2)cc1
InChIInChI=1S/C12H9N3OS/c13-5-9-1-3-10(4-2-9)12(16)14-6-11-7-17-8-15-11/h1-4,7-8H,6H2,(H,14,16)
InChIKeyDMCDOQUISIKVIL-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds3

About 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide

4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 49346148) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID49346148
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCc2cscn2)cc1
InChIInChI=1S/C12H9N3OS/c13-5-9-1-3-10(4-2-9)12(16)14-6-11-7-17-8-15-11/h1-4,7-8H,6H2,(H,14,16)
InChIKeyDMCDOQUISIKVIL-UHFFFAOYSA-N
XLogP1.94
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(1,3-thiazol-4-ylmethyl)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

N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630561
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134025287
N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 49346148) is 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide is N#Cc1ccc(C(=O)NCc2cscn2)cc1.
What is the InChIKey of 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is DMCDOQUISIKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-5-9-1-3-10(4-2-9)12(16)14-6-11-7-17-8-15-11/h1-4,7-8H,6H2,(H,14,16).
What are the key properties of 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 243.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 49346148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).