2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole

C14H15ClN4S — CID 79306151

IUPAC2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C(C)c1nccs1
InChIInChI=1S/C14H15ClN4S/c1-8-6-11-13(17-7-8)19(12(18-11)9(2)15)10(3)14-16-4-5-20-14/h4-7,9-10H,1-3H3
InChIKeyODTBBCKBLNZQAJ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.11
Rot. Bonds3

About 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole

2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole (PubChem CID 79306151) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
PubChem CID79306151
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C(C)c1nccs1
InChIInChI=1S/C14H15ClN4S/c1-8-6-11-13(17-7-8)19(12(18-11)9(2)15)10(3)14-16-4-5-20-14/h4-7,9-10H,1-3H3
InChIKeyODTBBCKBLNZQAJ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66082268
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
methyl 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanoate
CID 79278721
4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037177
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 79300872
2-(1-chloroethyl)-6-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79305923
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79289847

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole (CID 79306151) is 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole is Cc1cnc2c(c1)nc(C(C)Cl)n2C(C)c1nccs1.
What is the InChIKey of 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole?
The InChIKey is ODTBBCKBLNZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-8-6-11-13(17-7-8)19(12(18-11)9(2)15)10(3)14-16-4-5-20-14/h4-7,9-10H,1-3H3.
What are the key properties of 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole?
2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole has a molecular weight of 306.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 79306151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).