[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol

C11H7ClF3NO2S — CID 73012748

IUPAC[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C11H7ClF3NO2S/c12-9-8(5-17)19-10(16-9)18-7-3-1-6(2-4-7)11(13,14)15/h1-4,17H,5H2
InChIKeyVKOJVZYLWGHPDL-UHFFFAOYSA-N
MW309.70 g/mol
LogP4.10
Rot. Bonds3

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

[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol (PubChem CID 73012748) has the molecular formula C11H7ClF3NO2S and a molecular weight of 309.70 g/mol. Its IUPAC name is [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol
PubChem CID73012748
Molecular FormulaC11H7ClF3NO2S
Molecular Weight309.70 g/mol
Exact Mass308.98
IUPAC Name[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C11H7ClF3NO2S/c12-9-8(5-17)19-10(16-9)18-7-3-1-6(2-4-7)11(13,14)15/h1-4,17H,5H2
InChIKeyVKOJVZYLWGHPDL-UHFFFAOYSA-N
XLogP4.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol 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 [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol (CID 73012748) is [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol is OCc1sc(Oc2ccc(C(F)(F)F)cc2)nc1Cl.
What is the InChIKey of [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol?
The InChIKey is VKOJVZYLWGHPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2S/c12-9-8(5-17)19-10(16-9)18-7-3-1-6(2-4-7)11(13,14)15/h1-4,17H,5H2.
What are the key properties of [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol has a molecular weight of 309.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 73012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).