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

C6H6N4S — CID 20770514

IUPAC2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole
SMILESCc1ncc(-c2cn[nH]n2)s1
InChIInChI=1S/C6H6N4S/c1-4-7-3-6(11-4)5-2-8-10-9-5/h2-3H,1H3,(H,8,9,10)
InChIKeyZJUOOHVBISZRAN-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.24
Rot. Bonds1

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

2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 20770514) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID20770514
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole
SMILESCc1ncc(-c2cn[nH]n2)s1
InChIInChI=1S/C6H6N4S/c1-4-7-3-6(11-4)5-2-8-10-9-5/h2-3H,1H3,(H,8,9,10)
InChIKeyZJUOOHVBISZRAN-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-methyl-5-(2H-triazol-4-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-methyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole (CID 20770514) is 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole is Cc1ncc(-c2cn[nH]n2)s1.
What is the InChIKey of 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is ZJUOOHVBISZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-4-7-3-6(11-4)5-2-8-10-9-5/h2-3H,1H3,(H,8,9,10).
What are the key properties of 2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole?
2-methyl-5-(2H-triazol-4-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-methyl-5-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 20770514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).