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

C13H13ClN4S — CID 79292830

IUPAC2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C(C)n2c(CCl)nc3cnccc32)n1
InChIInChI=1S/C13H13ClN4S/c1-8-7-19-13(16-8)9(2)18-11-3-4-15-6-10(11)17-12(18)5-14/h3-4,6-7,9H,5H2,1-2H3
InChIKeyIVMVXOHCHJYTGH-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.54
Rot. Bonds3

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

2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 79292830) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID79292830
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C(C)n2c(CCl)nc3cnccc32)n1
InChIInChI=1S/C13H13ClN4S/c1-8-7-19-13(16-8)9(2)18-11-3-4-15-6-10(11)17-12(18)5-14/h3-4,6-7,9H,5H2,1-2H3
InChIKeyIVMVXOHCHJYTGH-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.54
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

2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
CID 79292688
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
[4-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66379318
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 79292830) is 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1csc(C(C)n2c(CCl)nc3cnccc32)n1.
What is the InChIKey of 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is IVMVXOHCHJYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-8-7-19-13(16-8)9(2)18-11-3-4-15-6-10(11)17-12(18)5-14/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole?
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 292.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79292830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).