4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H10F3NOS — CID 116967703

IUPAC4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)8-13-7(5-15-8)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyVJIWWMJCEAGKGE-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.06
Rot. Bonds1

About 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 116967703) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID116967703
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)8-13-7(5-15-8)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyVJIWWMJCEAGKGE-UHFFFAOYSA-N
XLogP3.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 116967703) is 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(C2CCOCC2)cs1.
What is the InChIKey of 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VJIWWMJCEAGKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)8-13-7(5-15-8)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 237.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116967703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).