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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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).