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

C13H13ClN4S — CID 79294247

IUPAC5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1Cn1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H13ClN4S/c1-9-11(19-8-16-9)7-18-12(4-5-14)17-10-3-2-6-15-13(10)18/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYDPHLQKHTPWLLS-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.03
Rot. Bonds4

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

5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 79294247) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID79294247
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1Cn1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H13ClN4S/c1-9-11(19-8-16-9)7-18-12(4-5-14)17-10-3-2-6-15-13(10)18/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYDPHLQKHTPWLLS-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

5-[[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 81135622
4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79294186
5-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280502
2-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79294885

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole (CID 79294247) is 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1Cn1c(CCCl)nc2cccnc21.
What is the InChIKey of 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is YDPHLQKHTPWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-9-11(19-8-16-9)7-18-12(4-5-14)17-10-3-2-6-15-13(10)18/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 292.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79294247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).