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

C10H12F3NO2S — CID 106782099

IUPACoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6,8,15H,1-4H2
InChIKeyBRUYZUNNKBOEDG-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.62
Rot. Bonds2

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

oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782099) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Nameoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782099
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Nameoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6,8,15H,1-4H2
InChIKeyBRUYZUNNKBOEDG-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxan-4-yl-[2-(trifluoromethyl)-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 oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782099) is oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BRUYZUNNKBOEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6,8,15H,1-4H2.
What are the key properties of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 267.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).