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

C15H17ClN4S — CID 79279492

IUPAC2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1cnc2c(c1)nc(CCCl)n2CCc1nc(C)cs1
InChIInChI=1S/C15H17ClN4S/c1-10-7-12-15(17-8-10)20(13(19-12)3-5-16)6-4-14-18-11(2)9-21-14/h7-9H,3-6H2,1-2H3
InChIKeyFNQVMFXPKGYVCP-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.53
Rot. Bonds5

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

2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 79279492) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID79279492
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1cnc2c(c1)nc(CCCl)n2CCc1nc(C)cs1
InChIInChI=1S/C15H17ClN4S/c1-10-7-12-15(17-8-10)20(13(19-12)3-5-16)6-4-14-18-11(2)9-21-14/h7-9H,3-6H2,1-2H3
InChIKeyFNQVMFXPKGYVCP-UHFFFAOYSA-N
XLogP3.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346520
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 79278369
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 115323009
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole (CID 79279492) is 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole is Cc1cnc2c(c1)nc(CCCl)n2CCc1nc(C)cs1.
What is the InChIKey of 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is FNQVMFXPKGYVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-10-7-12-15(17-8-10)20(13(19-12)3-5-16)6-4-14-18-11(2)9-21-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 320.85 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79279492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).