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

C8H8N4OS — CID 2971281

IUPAC5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nn2cnnc2)s1
InChIInChI=1S/C8H8N4OS/c1-6-2-3-7(14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13)
InChIKeyNMWLQDXWAIDSCO-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.03
Rot. Bonds2

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

5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (PubChem CID 2971281) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
PubChem CID2971281
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nn2cnnc2)s1
InChIInChI=1S/C8H8N4OS/c1-6-2-3-7(14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13)
InChIKeyNMWLQDXWAIDSCO-UHFFFAOYSA-N
XLogP1.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (CID 2971281) is 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nn2cnnc2)s1.
What is the InChIKey of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The InChIKey is NMWLQDXWAIDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-6-2-3-7(14-6)8(13)11-12-4-9-10-5-12/h2-5H,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).