5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide

C15H13N5O2S — CID 75434199

IUPAC5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnn3)cc2)s1
InChIInChI=1S/C15H13N5O2S/c1-9-8-12(13(16)21)15(23-9)18-14(22)10-2-4-11(5-3-10)20-7-6-17-19-20/h2-8H,1H3,(H2,16,21)(H,18,22)
InChIKeyHMBLITOAGLZYMN-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.99
Rot. Bonds4

About 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide

5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 75434199) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID75434199
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnn3)cc2)s1
InChIInChI=1S/C15H13N5O2S/c1-9-8-12(13(16)21)15(23-9)18-14(22)10-2-4-11(5-3-10)20-7-6-17-19-20/h2-8H,1H3,(H2,16,21)(H,18,22)
InChIKeyHMBLITOAGLZYMN-UHFFFAOYSA-N
XLogP1.99
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 6954275
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
CID 75389637
N-[(1R)-1-cyano-2,2-dimethylpropyl]-4-(triazol-1-yl)benzamide
CID 97080915
2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide
CID 84560852
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide
CID 126798869
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
N-[(2S)-2-anilinopropyl]-4-(triazol-1-yl)benzamide
CID 97082837
2-[[4-(triazol-1-yl)benzoyl]amino]hexanedioic acid
CID 135367151

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide (CID 75434199) is 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide is Cc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnn3)cc2)s1.
What is the InChIKey of 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is HMBLITOAGLZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-9-8-12(13(16)21)15(23-9)18-14(22)10-2-4-11(5-3-10)20-7-6-17-19-20/h2-8H,1H3,(H2,16,21)(H,18,22).
What are the key properties of 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 75434199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).