2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole

C6H6N4S2 — CID 18709002

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCc1nc(Sc2nccs2)n[nH]1
InChIInChI=1S/C6H6N4S2/c1-4-8-5(10-9-4)12-6-7-2-3-11-6/h2-3H,1H3,(H,8,9,10)
InChIKeyFRBAXYKHOKLYRF-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.72
Rot. Bonds2

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (PubChem CID 18709002) has the molecular formula C6H6N4S2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
PubChem CID18709002
Molecular FormulaC6H6N4S2
Molecular Weight198.28 g/mol
Exact Mass198.00
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCc1nc(Sc2nccs2)n[nH]1
InChIInChI=1S/C6H6N4S2/c1-4-8-5(10-9-4)12-6-7-2-3-11-6/h2-3H,1H3,(H,8,9,10)
InChIKeyFRBAXYKHOKLYRF-UHFFFAOYSA-N
XLogP1.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole 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 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (CID 18709002) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is Cc1nc(Sc2nccs2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The InChIKey is FRBAXYKHOKLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2/c1-4-8-5(10-9-4)12-6-7-2-3-11-6/h2-3H,1H3,(H,8,9,10).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole has a molecular weight of 198.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).