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

C9H10F3NO3S — CID 106786554

IUPAC1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1COCCO1
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5,7,14H,1-2,4H2
InChIKeyNYNOCJUINJPVNQ-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.61
Rot. Bonds2

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

1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786554) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786554
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1COCCO1
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5,7,14H,1-2,4H2
InChIKeyNYNOCJUINJPVNQ-UHFFFAOYSA-N
XLogP1.61
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785939
2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786521
oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783317
1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782835
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106786585
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782918
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
1,4-dioxan-2-yl(pyridin-3-yl)methanol
CID 65350860
1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
CID 130530429
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
(4-bromothiophen-3-yl)-(1,4-dioxan-2-yl)methanol
CID 115278605

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786554) is 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NYNOCJUINJPVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5,7,14H,1-2,4H2.
What are the key properties of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 269.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).