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

C18H12F5NOS — CID 46942956

IUPAC1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C18H12F5NOS/c1-17(25,11-5-6-13(19)14(20)8-11)16-24-15(9-26-16)10-3-2-4-12(7-10)18(21,22)23/h2-9,25H,1H3
InChIKeyKWQUSCJFUSEKAC-UHFFFAOYSA-N
MW385.36 g/mol
LogP5.36
Rot. Bonds3

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

1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 46942956) has the molecular formula C18H12F5NOS and a molecular weight of 385.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID46942956
Molecular FormulaC18H12F5NOS
Molecular Weight385.36 g/mol
Exact Mass385.06
IUPAC Name1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C18H12F5NOS/c1-17(25,11-5-6-13(19)14(20)8-11)16-24-15(9-26-16)10-3-2-4-12(7-10)18(21,22)23/h2-9,25H,1H3
InChIKeyKWQUSCJFUSEKAC-UHFFFAOYSA-N
XLogP5.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (CID 46942956) is 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is CC(O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is KWQUSCJFUSEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5NOS/c1-17(25,11-5-6-13(19)14(20)8-11)16-24-15(9-26-16)10-3-2-4-12(7-10)18(21,22)23/h2-9,25H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 385.36 g/mol, XLogP of 5.36, 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-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).