N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C13H11N3OS — CID 47475999

IUPACN-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1scnc1C
InChIInChI=1S/C13H11N3OS/c1-8-3-4-10(6-14)5-11(8)16-13(17)12-9(2)15-7-18-12/h3-5,7H,1-2H3,(H,16,17)
InChIKeyPORMCXDGLQHASX-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.88
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47475999) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47475999
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1scnc1C
InChIInChI=1S/C13H11N3OS/c1-8-3-4-10(6-14)5-11(8)16-13(17)12-9(2)15-7-18-12/h3-5,7H,1-2H3,(H,16,17)
InChIKeyPORMCXDGLQHASX-UHFFFAOYSA-N
XLogP2.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide 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-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 62104295
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 62103587
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335603
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47475999) is N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1scnc1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PORMCXDGLQHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-3-4-10(6-14)5-11(8)16-13(17)12-9(2)15-7-18-12/h3-5,7H,1-2H3,(H,16,17).
What are the key properties of N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47475999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).