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

C8H8N4OS — CID 79777871

IUPAC4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-2-14-3-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyISJOSTJONNGTRI-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.43
Rot. Bonds2

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

4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (PubChem CID 79777871) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
PubChem CID79777871
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-2-14-3-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyISJOSTJONNGTRI-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (CID 79777871) is 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The InChIKey is ISJOSTJONNGTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-2-14-3-6(5)7(13)11-8-9-4-10-12-8/h2-4H,1H3,(H2,9,10,11,12,13).
What are the key properties of 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79777871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).