4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide

C9H10N4OS — CID 79795683

IUPAC4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2cscc2C)n[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-3-15-4-7(5)8(14)11-9-10-6(2)12-13-9/h3-4H,1-2H3,(H2,10,11,12,13,14)
InChIKeyMYFIWBWUJHILQR-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.74
Rot. Bonds2

About 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide

4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (PubChem CID 79795683) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
PubChem CID79795683
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2cscc2C)n[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-3-15-4-7(5)8(14)11-9-10-6(2)12-13-9/h3-4H,1-2H3,(H2,10,11,12,13,14)
InChIKeyMYFIWBWUJHILQR-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (CID 79795683) is 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is Cc1nc(NC(=O)c2cscc2C)n[nH]1.
What is the InChIKey of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The InChIKey is MYFIWBWUJHILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-3-15-4-7(5)8(14)11-9-10-6(2)12-13-9/h3-4H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79795683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).