4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole

C13H15N5S — CID 70748447

IUPAC4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole
SMILESCc1cn(CCn2ccnc2-c2sccc2C)nn1
InChIInChI=1S/C13H15N5S/c1-10-3-8-19-12(10)13-14-4-5-17(13)6-7-18-9-11(2)15-16-18/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWIUZKIMKYWPUKT-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole

4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole (PubChem CID 70748447) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole
PubChem CID70748447
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole
SMILESCc1cn(CCn2ccnc2-c2sccc2C)nn1
InChIInChI=1S/C13H15N5S/c1-10-3-8-19-12(10)13-14-4-5-17(13)6-7-18-9-11(2)15-16-18/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWIUZKIMKYWPUKT-UHFFFAOYSA-N
XLogP2.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole 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-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole?
The IUPAC name of 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole (CID 70748447) is 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole.
What is the SMILES notation for 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole?
The canonical SMILES for 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole is Cc1cn(CCn2ccnc2-c2sccc2C)nn1.
What is the InChIKey of 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole?
The InChIKey is WIUZKIMKYWPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-10-3-8-19-12(10)13-14-4-5-17(13)6-7-18-9-11(2)15-16-18/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole?
4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole has a molecular weight of 273.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]triazole is sourced from PubChem (CID 70748447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).