6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole

C19H13ClN6S — CID 155255012

IUPAC6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/C19H13ClN6S/c20-14-6-4-13(5-7-14)17-18(26-9-10-27-19(26)22-17)16-12-25(24-23-16)11-15-3-1-2-8-21-15/h1-10,12H,11H2
InChIKeyDHVCKVAUCNHZJJ-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.42
Rot. Bonds4

About 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 155255012) has the molecular formula C19H13ClN6S and a molecular weight of 392.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID155255012
Molecular FormulaC19H13ClN6S
Molecular Weight392.88 g/mol
Exact Mass392.06
IUPAC Name6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/C19H13ClN6S/c20-14-6-4-13(5-7-14)17-18(26-9-10-27-19(26)22-17)16-12-25(24-23-16)11-15-3-1-2-8-21-15/h1-10,12H,11H2
InChIKeyDHVCKVAUCNHZJJ-UHFFFAOYSA-N
XLogP4.42
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-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-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 155255012) is 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccn3)nn2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is DHVCKVAUCNHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6S/c20-14-6-4-13(5-7-14)17-18(26-9-10-27-19(26)22-17)16-12-25(24-23-16)11-15-3-1-2-8-21-15/h1-10,12H,11H2.
What are the key properties of 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 392.88 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[1-(pyridin-2-ylmethyl)triazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155255012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).