[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

C13H10F5NOS — CID 90418686

IUPAC[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCC(F)(F)c1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H10F5NOS/c1-12(14,15)8-4-2-7(3-5-8)10-9(6-20)11(21-19-10)13(16,17)18/h2-5,20H,6H2,1H3
InChIKeyPGLGYAOYVAVVDP-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.43
Rot. Bonds3

About [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418686) has the molecular formula C13H10F5NOS and a molecular weight of 323.29 g/mol. Its IUPAC name is [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418686
Molecular FormulaC13H10F5NOS
Molecular Weight323.29 g/mol
Exact Mass323.04
IUPAC Name[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCC(F)(F)c1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H10F5NOS/c1-12(14,15)8-4-2-7(3-5-8)10-9(6-20)11(21-19-10)13(16,17)18/h2-5,20H,6H2,1H3
InChIKeyPGLGYAOYVAVVDP-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 90418686) is [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is CC(F)(F)c1ccc(-c2nsc(C(F)(F)F)c2CO)cc1.
What is the InChIKey of [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is PGLGYAOYVAVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NOS/c1-12(14,15)8-4-2-7(3-5-8)10-9(6-20)11(21-19-10)13(16,17)18/h2-5,20H,6H2,1H3.
What are the key properties of [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 323.29 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,1-difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).