4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole

C22H14BrClN4OS — CID 44530468

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ncc(Br)cc4[nH]3)cs2)c1
InChIInChI=1S/C22H14BrClN4OS/c23-14-8-17-20(25-10-14)28-21(26-17)18-12-30-22(27-18)16-9-15(24)6-7-19(16)29-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,26,28)
InChIKeyXOUKJZIQCUGMLJ-UHFFFAOYSA-N
MW497.81 g/mol
LogP6.74
Rot. Bonds5

About 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 44530468) has the molecular formula C22H14BrClN4OS and a molecular weight of 497.81 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID44530468
Molecular FormulaC22H14BrClN4OS
Molecular Weight497.81 g/mol
Exact Mass495.98
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ncc(Br)cc4[nH]3)cs2)c1
InChIInChI=1S/C22H14BrClN4OS/c23-14-8-17-20(25-10-14)28-21(26-17)18-12-30-22(27-18)16-9-15(24)6-7-19(16)29-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,26,28)
InChIKeyXOUKJZIQCUGMLJ-UHFFFAOYSA-N
XLogP6.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-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 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole (CID 44530468) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole is Clc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ncc(Br)cc4[nH]3)cs2)c1.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is XOUKJZIQCUGMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN4OS/c23-14-8-17-20(25-10-14)28-21(26-17)18-12-30-22(27-18)16-9-15(24)6-7-19(16)29-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,26,28).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole has a molecular weight of 497.81 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 44530468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).