5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

C13H11N5OS — CID 39997420

IUPAC5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)s1
InChIInChI=1S/C13H11N5OS/c1-9-2-4-11(20-9)13(19)17-10-3-5-12(15-6-10)18-8-14-7-16-18/h2-8H,1H3,(H,17,19)
InChIKeyWIIDWGGLXXHOCK-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.28
Rot. Bonds3

About 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 39997420) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID39997420
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)s1
InChIInChI=1S/C13H11N5OS/c1-9-2-4-11(20-9)13(19)17-10-3-5-12(15-6-10)18-8-14-7-16-18/h2-8H,1H3,(H,17,19)
InChIKeyWIIDWGGLXXHOCK-UHFFFAOYSA-N
XLogP2.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (CID 39997420) is 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)s1.
What is the InChIKey of 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is WIIDWGGLXXHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-9-2-4-11(20-9)13(19)17-10-3-5-12(15-6-10)18-8-14-7-16-18/h2-8H,1H3,(H,17,19).
What are the key properties of 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 39997420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).