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

C20H12Cl3N5S — CID 155255009

IUPAC6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1
InChIInChI=1S/C20H12Cl3N5S/c21-14-4-2-13(3-5-14)18-19(28-7-8-29-20(28)24-18)17-11-27(26-25-17)10-12-1-6-15(22)16(23)9-12/h1-9,11H,10H2
InChIKeyPYHABFKYZXQMIB-UHFFFAOYSA-N
MW460.78 g/mol
LogP6.33
Rot. Bonds4

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

6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 155255009) has the molecular formula C20H12Cl3N5S and a molecular weight of 460.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID155255009
Molecular FormulaC20H12Cl3N5S
Molecular Weight460.78 g/mol
Exact Mass458.99
IUPAC Name6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1
InChIInChI=1S/C20H12Cl3N5S/c21-14-4-2-13(3-5-14)18-19(28-7-8-29-20(28)24-18)17-11-27(26-25-17)10-12-1-6-15(22)16(23)9-12/h1-9,11H,10H2
InChIKeyPYHABFKYZXQMIB-UHFFFAOYSA-N
XLogP6.33
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.78
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]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-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 155255009) is 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is PYHABFKYZXQMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3N5S/c21-14-4-2-13(3-5-14)18-19(28-7-8-29-20(28)24-18)17-11-27(26-25-17)10-12-1-6-15(22)16(23)9-12/h1-9,11H,10H2.
What are the key properties of 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 460.78 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155255009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).