4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one

C11H9ClN4OS — CID 106382615

IUPAC4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(Cn2c(CCl)nc3cccnc32)cs1
InChIInChI=1S/C11H9ClN4OS/c12-4-9-15-8-2-1-3-13-10(8)16(9)5-7-6-18-11(17)14-7/h1-3,6H,4-5H2,(H,14,17)
InChIKeyCLJLWTUIJGPESG-UHFFFAOYSA-N
MW280.74 g/mol
LogP1.97
Rot. Bonds3

About 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one

4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382615) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382615
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(Cn2c(CCl)nc3cccnc32)cs1
InChIInChI=1S/C11H9ClN4OS/c12-4-9-15-8-2-1-3-13-10(8)16(9)5-7-6-18-11(17)14-7/h1-3,6H,4-5H2,(H,14,17)
InChIKeyCLJLWTUIJGPESG-UHFFFAOYSA-N
XLogP1.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382634
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81178423
4-[[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382671
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
4-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382624
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79294299
2-(2-chloroethyl)-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106382656
2-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,7-dihydrocyclohepta[d]imidazole
CID 142896639
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one (CID 106382615) is 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(Cn2c(CCl)nc3cccnc32)cs1.
What is the InChIKey of 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CLJLWTUIJGPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c12-4-9-15-8-2-1-3-13-10(8)16(9)5-7-6-18-11(17)14-7/h1-3,6H,4-5H2,(H,14,17).
What are the key properties of 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 280.74 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).