2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C9H13ClN2S — CID 62923059

IUPAC2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(CCl)sc2C1
InChIInChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3
InChIKeyFIUUMCGYKVMKNX-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.26
Rot. Bonds2

About 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62923059) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62923059
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(CCl)sc2C1
InChIInChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3
InChIKeyFIUUMCGYKVMKNX-UHFFFAOYSA-N
XLogP2.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 62923059) is 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCN1CCc2nc(CCl)sc2C1.
What is the InChIKey of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FIUUMCGYKVMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 216.74 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62923059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).