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

C8H10F3NOS — CID 83959771

IUPAC[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(C(F)(F)F)sc1CO
InChIInChI=1S/C8H10F3NOS/c1-4(2)6-5(3-13)14-7(12-6)8(9,10)11/h4,13H,3H2,1-2H3
InChIKeyTYGOALBRFPSQCT-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.78
Rot. Bonds2

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

[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 83959771) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID83959771
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(C(F)(F)F)sc1CO
InChIInChI=1S/C8H10F3NOS/c1-4(2)6-5(3-13)14-7(12-6)8(9,10)11/h4,13H,3H2,1-2H3
InChIKeyTYGOALBRFPSQCT-UHFFFAOYSA-N
XLogP2.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 83959771) is [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC(C)c1nc(C(F)(F)F)sc1CO.
What is the InChIKey of [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is TYGOALBRFPSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-4(2)6-5(3-13)14-7(12-6)8(9,10)11/h4,13H,3H2,1-2H3.
What are the key properties of [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 225.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 83959771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).