5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C15H13N5O2S — CID 21369531

IUPAC5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)s1
InChIInChI=1S/C15H13N5O2S/c1-10-5-6-13(23-10)15(22)18-12-4-2-3-11(7-12)14(21)19-20-8-16-17-9-20/h2-9H,1H3,(H,18,22)(H,19,21)
InChIKeyJPXVIZACDSMMMJ-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.28
Rot. Bonds4

About 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide

5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 21369531) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID21369531
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)s1
InChIInChI=1S/C15H13N5O2S/c1-10-5-6-13(23-10)15(22)18-12-4-2-3-11(7-12)14(21)19-20-8-16-17-9-20/h2-9H,1H3,(H,18,22)(H,19,21)
InChIKeyJPXVIZACDSMMMJ-UHFFFAOYSA-N
XLogP2.28
TPSA88.91 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 21369517
2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 21369499
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N-[3-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 5454915
N-[3-[N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 1225544
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 21369531) is 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)s1.
What is the InChIKey of 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JPXVIZACDSMMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10-5-6-13(23-10)15(22)18-12-4-2-3-11(7-12)14(21)19-20-8-16-17-9-20/h2-9H,1H3,(H,18,22)(H,19,21).
What are the key properties of 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 21369531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).