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

C10H12F3NOS — CID 116969914

IUPAC4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-9-14-8(6-16-9)7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyUOIYILNBNPQSEJ-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.14
Rot. Bonds2

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

4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 116969914) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID116969914
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-9-14-8(6-16-9)7-1-3-15-4-2-7/h6-7H,1-5H2
InChIKeyUOIYILNBNPQSEJ-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.14
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-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 116969914) is 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1nc(C2CCOCC2)cs1.
What is the InChIKey of 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is UOIYILNBNPQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)5-9-14-8(6-16-9)7-1-3-15-4-2-7/h6-7H,1-5H2.
What are the key properties of 4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 251.27 g/mol, XLogP of 3.14, 2 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-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 116969914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).