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

C12H16F3NO2S — CID 106786585

IUPAC[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cnc(C(F)(F)F)s2)C1C
InChIInChI=1S/C12H16F3NO2S/c1-5-6(2)18-7(3)9(5)10(17)8-4-16-11(19-8)12(13,14)15/h4-7,9-10,17H,1-3H3
InChIKeyQVUPCZDZWMPXBS-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.25
Rot. Bonds2

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

[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 106786585) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID106786585
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cnc(C(F)(F)F)s2)C1C
InChIInChI=1S/C12H16F3NO2S/c1-5-6(2)18-7(3)9(5)10(17)8-4-16-11(19-8)12(13,14)15/h4-7,9-10,17H,1-3H3
InChIKeyQVUPCZDZWMPXBS-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106785515
2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786521
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782918
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786619
1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786554
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489
1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782835
piperidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782199
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol (CID 106786585) is [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cnc(C(F)(F)F)s2)C1C.
What is the InChIKey of [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is QVUPCZDZWMPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-5-6(2)18-7(3)9(5)10(17)8-4-16-11(19-8)12(13,14)15/h4-7,9-10,17H,1-3H3.
What are the key properties of [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol?
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 295.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 106786585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).