4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide

C12H10N4OS — CID 79375777

IUPAC4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1nsc(Nc2ccc(C(N)=O)cc2)c1C#N
InChIInChI=1S/C12H10N4OS/c1-7-10(6-13)12(18-16-7)15-9-4-2-8(3-5-9)11(14)17/h2-5,15H,1H3,(H2,14,17)
InChIKeyCRGGXTKKOCFQGP-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.17
Rot. Bonds3

About 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide

4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide (PubChem CID 79375777) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide
PubChem CID79375777
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1nsc(Nc2ccc(C(N)=O)cc2)c1C#N
InChIInChI=1S/C12H10N4OS/c1-7-10(6-13)12(18-16-7)15-9-4-2-8(3-5-9)11(14)17/h2-5,15H,1H3,(H2,14,17)
InChIKeyCRGGXTKKOCFQGP-UHFFFAOYSA-N
XLogP2.17
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyano-4-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375210
5-(4-ethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375285
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376316
5-(4-bromo-3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375133
3-methyl-5-(3,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376054
5-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376403
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375707
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
CID 138481254
3-methyl-5-(2,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376141
3-methyl-5-(2-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
CID 107646947
5-anilino-3-phenacylsulfanyl-1,2-thiazole-4-carbonitrile
CID 134103620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The IUPAC name of 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide (CID 79375777) is 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The canonical SMILES for 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide is Cc1nsc(Nc2ccc(C(N)=O)cc2)c1C#N.
What is the InChIKey of 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The InChIKey is CRGGXTKKOCFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-10(6-13)12(18-16-7)15-9-4-2-8(3-5-9)11(14)17/h2-5,15H,1H3,(H2,14,17).
What are the key properties of 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide?
4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide has a molecular weight of 258.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide is sourced from PubChem (CID 79375777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).