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

C6H6N4S — CID 67429029

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2nccs2)n[nH]1
InChIInChI=1S/C6H6N4S/c1-4-8-5(10-9-4)6-7-2-3-11-6/h2-3H,1H3,(H,8,9,10)
InChIKeyDWVZAZTWJUOJFW-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.24
Rot. Bonds1

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

2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 67429029) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID67429029
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2nccs2)n[nH]1
InChIInChI=1S/C6H6N4S/c1-4-8-5(10-9-4)6-7-2-3-11-6/h2-3H,1H3,(H,8,9,10)
InChIKeyDWVZAZTWJUOJFW-UHFFFAOYSA-N
XLogP1.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1H-1,2,4-triazol-3-yl)-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)-1,3-thiazole?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (CID 67429029) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is Cc1nc(-c2nccs2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is DWVZAZTWJUOJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-4-8-5(10-9-4)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)-1,3-thiazole?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 166.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 67429029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).