2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol

C6H8ClNOS — CID 84656259

IUPAC2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sncc1Cl
InChIInChI=1S/C6H8ClNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3
InChIKeyXLPJZMHNHHFUFL-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol

2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol (PubChem CID 84656259) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol
PubChem CID84656259
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sncc1Cl
InChIInChI=1S/C6H8ClNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3
InChIKeyXLPJZMHNHHFUFL-UHFFFAOYSA-N
XLogP2.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-Chloro-1,2-thiazol-5-yl)ethanol
CID 84651748
3-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664428
2-(4-Bromo-1,2-thiazol-5-yl)propan-2-ol
CID 84687332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol (CID 84656259) is 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol is CC(C)(O)c1sncc1Cl.
What is the InChIKey of 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol?
The InChIKey is XLPJZMHNHHFUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3.
What are the key properties of 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol?
2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol has a molecular weight of 177.66 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,2-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 84656259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).