2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol

C6H8ClNOS — CID 178199940

IUPAC2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1csc(Cl)n1
InChIInChI=1S/C6H8ClNOS/c1-6(2,9)4-3-10-5(7)8-4/h3,9H,1-2H3
InChIKeyOEEYOUQIWDFSPM-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.02
Rot. Bonds1

About 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol

2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 178199940) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol
PubChem CID178199940
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1csc(Cl)n1
InChIInChI=1S/C6H8ClNOS/c1-6(2,9)4-3-10-5(7)8-4/h3,9H,1-2H3
InChIKeyOEEYOUQIWDFSPM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol (CID 178199940) is 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol is CC(C)(O)c1csc(Cl)n1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is OEEYOUQIWDFSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-6(2,9)4-3-10-5(7)8-4/h3,9H,1-2H3.
What are the key properties of 2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol?
2-(2-chloro-1,3-thiazol-4-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-(2-chloro-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 178199940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).