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

C13H13ClN4S — CID 79292688

IUPAC2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H13ClN4S/c1-9(13-16-6-7-19-13)18-11-3-5-15-8-10(11)17-12(18)2-4-14/h3,5-9H,2,4H2,1H3
InChIKeyHWOMSEINTPNWGO-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.28
Rot. Bonds4

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

2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole (PubChem CID 79292688) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
PubChem CID79292688
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H13ClN4S/c1-9(13-16-6-7-19-13)18-11-3-5-15-8-10(11)17-12(18)2-4-14/h3,5-9H,2,4H2,1H3
InChIKeyHWOMSEINTPNWGO-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole (CID 79292688) is 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is HWOMSEINTPNWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-9(13-16-6-7-19-13)18-11-3-5-15-8-10(11)17-12(18)2-4-14/h3,5-9H,2,4H2,1H3.
What are the key properties of 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole?
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 292.80 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 79292688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).