4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione

C10H8N4S3 — CID 2744111

IUPAC4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S
InChIInChI=1S/C10H8N4S3/c1-14-8(12-13-10(14)15)6-5-17-9(11-6)7-3-2-4-16-7/h2-5H,1H3,(H,13,15)
InChIKeyAJABFRMVQFIDKX-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione

4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 2744111) has the molecular formula C10H8N4S3 and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
PubChem CID2744111
Molecular FormulaC10H8N4S3
Molecular Weight280.40 g/mol
Exact Mass279.99
IUPAC Name4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S
InChIInChI=1S/C10H8N4S3/c1-14-8(12-13-10(14)15)6-5-17-9(11-6)7-3-2-4-16-7/h2-5H,1H3,(H,13,15)
InChIKeyAJABFRMVQFIDKX-UHFFFAOYSA-N
XLogP3.33
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione 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-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione (CID 2744111) is 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione is Cn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S.
What is the InChIKey of 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is AJABFRMVQFIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S3/c1-14-8(12-13-10(14)15)6-5-17-9(11-6)7-3-2-4-16-7/h2-5H,1H3,(H,13,15).
What are the key properties of 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 280.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 2744111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).