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

C12H16F3NO2S — CID 106782120

IUPAC2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol
SMILESCC(C)C1CC(O)(c2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C12H16F3NO2S/c1-7(2)8-5-11(17,3-4-18-8)9-6-16-10(19-9)12(13,14)15/h6-8,17H,3-5H2,1-2H3
InChIKeyPPVSTHQJQIPQEV-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.18
Rot. Bonds2

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

2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol (PubChem CID 106782120) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol
PubChem CID106782120
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol
SMILESCC(C)C1CC(O)(c2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C12H16F3NO2S/c1-7(2)8-5-11(17,3-4-18-8)9-6-16-10(19-9)12(13,14)15/h6-8,17H,3-5H2,1-2H3
InChIKeyPPVSTHQJQIPQEV-UHFFFAOYSA-N
XLogP3.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol?
The IUPAC name of 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol (CID 106782120) is 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol?
The canonical SMILES for 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol is CC(C)C1CC(O)(c2cnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol?
The InChIKey is PPVSTHQJQIPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-7(2)8-5-11(17,3-4-18-8)9-6-16-10(19-9)12(13,14)15/h6-8,17H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol?
2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol has a molecular weight of 295.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106782120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).