2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole

C8H8F3NO2S — CID 126455299

IUPAC2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(C2OCCCO2)s1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-4-12-6(15-5)7-13-2-1-3-14-7/h4,7H,1-3H2
InChIKeyTUHWKFLJXRLRGC-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.60
Rot. Bonds1

About 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole

2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 126455299) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole
PubChem CID126455299
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(C2OCCCO2)s1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-4-12-6(15-5)7-13-2-1-3-14-7/h4,7H,1-3H2
InChIKeyTUHWKFLJXRLRGC-UHFFFAOYSA-N
XLogP2.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole (CID 126455299) is 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cnc(C2OCCCO2)s1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is TUHWKFLJXRLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)5-4-12-6(15-5)7-13-2-1-3-14-7/h4,7H,1-3H2.
What are the key properties of 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole?
2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 239.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 126455299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).