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

C15H17ClN4S — CID 106037177

IUPAC4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCc1csc(C)n1
InChIInChI=1S/C15H17ClN4S/c1-9-6-13-15(17-7-9)20(14(19-13)10(2)16)5-4-12-8-21-11(3)18-12/h6-8,10H,4-5H2,1-3H3
InChIKeyQLBFOTPUVOSDNR-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.05
Rot. Bonds4

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

4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 106037177) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID106037177
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCc1csc(C)n1
InChIInChI=1S/C15H17ClN4S/c1-9-6-13-15(17-7-9)20(14(19-13)10(2)16)5-4-12-8-21-11(3)18-12/h6-8,10H,4-5H2,1-3H3
InChIKeyQLBFOTPUVOSDNR-UHFFFAOYSA-N
XLogP4.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
4-[[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 79301013
4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 81135612
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 79300872
3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420154
4-[[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837876
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79306151
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole (CID 106037177) is 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole is Cc1cnc2c(c1)nc(C(C)Cl)n2CCc1csc(C)n1.
What is the InChIKey of 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is QLBFOTPUVOSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-9-6-13-15(17-7-9)20(14(19-13)10(2)16)5-4-12-8-21-11(3)18-12/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 320.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106037177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).