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

C13H13ClN4OS — CID 115322862

IUPAC5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc2nc(CCl)n(Cc3cnc(C)s3)c2n1
InChIInChI=1S/C13H13ClN4OS/c1-8-15-6-9(20-8)7-18-11(5-14)16-10-3-4-12(19-2)17-13(10)18/h3-4,6H,5,7H2,1-2H3
InChIKeyMJGWJWYZPNAZQR-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.99
Rot. Bonds4

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

5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 115322862) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID115322862
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc2nc(CCl)n(Cc3cnc(C)s3)c2n1
InChIInChI=1S/C13H13ClN4OS/c1-8-15-6-9(20-8)7-18-11(5-14)16-10-3-4-12(19-2)17-13(10)18/h3-4,6H,5,7H2,1-2H3
InChIKeyMJGWJWYZPNAZQR-UHFFFAOYSA-N
XLogP2.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.99
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

2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole
CID 115322902
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
CID 115322521
2-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 115322869
2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 115323009
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 81139479
5-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 62531882
2-(chloromethyl)-3-(3,5-dimethylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322665
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole (CID 115322862) is 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole is COc1ccc2nc(CCl)n(Cc3cnc(C)s3)c2n1.
What is the InChIKey of 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is MJGWJWYZPNAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-8-15-6-9(20-8)7-18-11(5-14)16-10-3-4-12(19-2)17-13(10)18/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole?
5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 308.79 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 115322862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).