4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole

C14H15ClN4S — CID 81135612

IUPAC4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ccc2nc(C(C)Cl)n(Cc3csc(C)n3)c2n1
InChIInChI=1S/C14H15ClN4S/c1-8-4-5-12-14(16-8)19(13(18-12)9(2)15)6-11-7-20-10(3)17-11/h4-5,7,9H,6H2,1-3H3
InChIKeyNOESJAUCFQZGAW-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.85
Rot. Bonds3

About 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole

4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 81135612) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID81135612
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ccc2nc(C(C)Cl)n(Cc3csc(C)n3)c2n1
InChIInChI=1S/C14H15ClN4S/c1-8-4-5-12-14(16-8)19(13(18-12)9(2)15)6-11-7-20-10(3)17-11/h4-5,7,9H,6H2,1-3H3
InChIKeyNOESJAUCFQZGAW-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-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-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole (CID 81135612) is 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole is Cc1ccc2nc(C(C)Cl)n(Cc3csc(C)n3)c2n1.
What is the InChIKey of 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is NOESJAUCFQZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-8-4-5-12-14(16-8)19(13(18-12)9(2)15)6-11-7-20-10(3)17-11/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 306.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 81135612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).