3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one

C9H7ClN2OS — CID 63312214

IUPAC3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(5-11-8)6-12-3-4-14-9(12)13/h1-5H,6H2
InChIKeyGDHCHGUYSGKYKV-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.01
Rot. Bonds2

About 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one

3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one (PubChem CID 63312214) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
PubChem CID63312214
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(5-11-8)6-12-3-4-14-9(12)13/h1-5H,6H2
InChIKeyGDHCHGUYSGKYKV-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one (CID 63312214) is 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one is O=c1sccn1Cc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one?
The InChIKey is GDHCHGUYSGKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-8-2-1-7(5-11-8)6-12-3-4-14-9(12)13/h1-5H,6H2.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one?
3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one has a molecular weight of 226.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).