2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole

C14H15ClN4OS — CID 115323009

IUPAC2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc2nc(CCl)n(CCc3nc(C)cs3)c2n1
InChIInChI=1S/C14H15ClN4OS/c1-9-8-21-13(16-9)5-6-19-11(7-15)17-10-3-4-12(20-2)18-14(10)19/h3-4,8H,5-7H2,1-2H3
InChIKeyFPLUGKIRQRWMDZ-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.19
Rot. Bonds5

About 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole

2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 115323009) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID115323009
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc2nc(CCl)n(CCc3nc(C)cs3)c2n1
InChIInChI=1S/C14H15ClN4OS/c1-9-8-21-13(16-9)5-6-19-11(7-15)17-10-3-4-12(20-2)18-14(10)19/h3-4,8H,5-7H2,1-2H3
InChIKeyFPLUGKIRQRWMDZ-UHFFFAOYSA-N
XLogP3.19
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 115322400
2-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 115322869
2-(chloromethyl)-5-methoxy-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 115322838
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
2-[2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346474
2-[2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 79279492
2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 103593695
2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 115322997
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole (CID 115323009) is 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole is COc1ccc2nc(CCl)n(CCc3nc(C)cs3)c2n1.
What is the InChIKey of 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is FPLUGKIRQRWMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-9-8-21-13(16-9)5-6-19-11(7-15)17-10-3-4-12(20-2)18-14(10)19/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole?
2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 322.82 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 115323009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).