6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole

C14H11N5S — CID 139235790

IUPAC6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2cn3ccsc3n2)nnn1-c1ccccc1
InChIInChI=1S/C14H11N5S/c1-10-13(12-9-18-7-8-20-14(18)15-12)16-17-19(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXLOAFNKNNUOKHH-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.95
Rot. Bonds2

About 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole

6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139235790) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID139235790
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2cn3ccsc3n2)nnn1-c1ccccc1
InChIInChI=1S/C14H11N5S/c1-10-13(12-9-18-7-8-20-14(18)15-12)16-17-19(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXLOAFNKNNUOKHH-UHFFFAOYSA-N
XLogP2.95
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][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 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole (CID 139235790) is 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole is Cc1c(-c2cn3ccsc3n2)nnn1-c1ccccc1.
What is the InChIKey of 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is XLOAFNKNNUOKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-10-13(12-9-18-7-8-20-14(18)15-12)16-17-19(10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole?
6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 281.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1-phenyltriazol-4-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).