2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine

C7H5ClN2S — CID 14204207

IUPAC2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESClCc1nc2cccnc2s1
InChIInChI=1S/C7H5ClN2S/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4H2
InChIKeyPEZKJSQLIHPQMD-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.43
Rot. Bonds1

About 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 14204207) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID14204207
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESClCc1nc2cccnc2s1
InChIInChI=1S/C7H5ClN2S/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4H2
InChIKeyPEZKJSQLIHPQMD-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.43
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)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 14204207) is 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine is ClCc1nc2cccnc2s1.
What is the InChIKey of 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is PEZKJSQLIHPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4H2.
What are the key properties of 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 184.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 14204207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).