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

C11H14F3NO2S — CID 106782851

IUPAC(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C(O)c2cnc(C(F)(F)F)s2)CCCCO1
InChIInChI=1S/C11H14F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6,8,16H,2-5H2,1H3
InChIKeyXKDRUAUQGUTGMU-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.15
Rot. Bonds2

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

(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782851) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782851
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C(O)c2cnc(C(F)(F)F)s2)CCCCO1
InChIInChI=1S/C11H14F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6,8,16H,2-5H2,1H3
InChIKeyXKDRUAUQGUTGMU-UHFFFAOYSA-N
XLogP3.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782851) is (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1(C(O)c2cnc(C(F)(F)F)s2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is XKDRUAUQGUTGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6,8,16H,2-5H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 281.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).