1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

C12H9F2NOS — CID 19426986

IUPAC1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1cc(F)cc(F)c1)c1nccs1
InChIInChI=1S/C12H9F2NOS/c1-2-12(16,11-15-3-4-17-11)8-5-9(13)7-10(14)6-8/h2-7,16H,1H2
InChIKeyVDOYRZMCWIXEIL-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.84
Rot. Bonds3

About 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (PubChem CID 19426986) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
PubChem CID19426986
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1cc(F)cc(F)c1)c1nccs1
InChIInChI=1S/C12H9F2NOS/c1-2-12(16,11-15-3-4-17-11)8-5-9(13)7-10(14)6-8/h2-7,16H,1H2
InChIKeyVDOYRZMCWIXEIL-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol 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 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (CID 19426986) is 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is C=CC(O)(c1cc(F)cc(F)c1)c1nccs1.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The InChIKey is VDOYRZMCWIXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-2-12(16,11-15-3-4-17-11)8-5-9(13)7-10(14)6-8/h2-7,16H,1H2.
What are the key properties of 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol has a molecular weight of 253.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 19426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).