4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

C11H15F3N2OS — CID 169163058

IUPAC4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-7(2)8-9(11(12,13)14)15-10(18-8)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3
InChIKeyOKRDFSOFOATHJF-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.12
Rot. Bonds2

About 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 169163058) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID169163058
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-7(2)8-9(11(12,13)14)15-10(18-8)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3
InChIKeyOKRDFSOFOATHJF-UHFFFAOYSA-N
XLogP3.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CID 169163058) is 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is CC(C)c1sc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is OKRDFSOFOATHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7(2)8-9(11(12,13)14)15-10(18-8)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3.
What are the key properties of 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 280.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 169163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).