3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine

C9H11F3N2OS — CID 106782370

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine
SMILESNC1(c2cnc(C(F)(F)F)s2)CCCOC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-4-6(16-7)8(13)2-1-3-15-5-8/h4H,1-3,5,13H2
InChIKeyKOWFJYVMVKGBIF-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.13
Rot. Bonds1

About 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine (PubChem CID 106782370) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine
PubChem CID106782370
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine
SMILESNC1(c2cnc(C(F)(F)F)s2)CCCOC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-4-6(16-7)8(13)2-1-3-15-5-8/h4H,1-3,5,13H2
InChIKeyKOWFJYVMVKGBIF-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine (CID 106782370) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine is NC1(c2cnc(C(F)(F)F)s2)CCCOC1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine?
The InChIKey is KOWFJYVMVKGBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-4-6(16-7)8(13)2-1-3-15-5-8/h4H,1-3,5,13H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine has a molecular weight of 252.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine is sourced from PubChem (CID 106782370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).