1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol

C17H13F2NOS — CID 46942588

IUPAC1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13F2NOS/c1-17(21,12-7-8-13(18)14(19)9-12)16-20-15(10-22-16)11-5-3-2-4-6-11/h2-10,21H,1H3
InChIKeyQAABAPLVOCZWFI-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.34
Rot. Bonds3

About 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol

1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol (PubChem CID 46942588) has the molecular formula C17H13F2NOS and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol
PubChem CID46942588
Molecular FormulaC17H13F2NOS
Molecular Weight317.36 g/mol
Exact Mass317.07
IUPAC Name1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13F2NOS/c1-17(21,12-7-8-13(18)14(19)9-12)16-20-15(10-22-16)11-5-3-2-4-6-11/h2-10,21H,1H3
InChIKeyQAABAPLVOCZWFI-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol 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-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol (CID 46942588) is 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol is CC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is QAABAPLVOCZWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NOS/c1-17(21,12-7-8-13(18)14(19)9-12)16-20-15(10-22-16)11-5-3-2-4-6-11/h2-10,21H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol?
1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 317.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 46942588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).