4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H9N3OS — CID 2566426

IUPAC4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,15,16)
InChIKeyVFMAQQHWRQPMPO-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2566426) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2566426
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,15,16)
InChIKeyVFMAQQHWRQPMPO-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
4-(4-cyanophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820973
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2566426) is 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VFMAQQHWRQPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,15,16).
What are the key properties of 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 243.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2566426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).