4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine

C11H15F3N2O2S — CID 103477058

IUPAC4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(COCC(F)(F)F)n2)CCOCC1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)7-18-5-9-16-8(6-19-9)10(15)1-3-17-4-2-10/h6H,1-5,7,15H2
InChIKeyRPEYFIQNOLIHJK-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.19
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine

4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine (PubChem CID 103477058) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine
PubChem CID103477058
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(COCC(F)(F)F)n2)CCOCC1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)7-18-5-9-16-8(6-19-9)10(15)1-3-17-4-2-10/h6H,1-5,7,15H2
InChIKeyRPEYFIQNOLIHJK-UHFFFAOYSA-N
XLogP2.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine (CID 103477058) is 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine is NC1(c2csc(COCC(F)(F)F)n2)CCOCC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The InChIKey is RPEYFIQNOLIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c12-11(13,14)7-18-5-9-16-8(6-19-9)10(15)1-3-17-4-2-10/h6H,1-5,7,15H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine?
4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine has a molecular weight of 296.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]oxan-4-amine is sourced from PubChem (CID 103477058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).