4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine

C9H11F3N2OS — CID 106782368

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine
SMILESNC1(c2cnc(C(F)(F)F)s2)CCOCC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(13)1-3-15-4-2-8/h5H,1-4,13H2
InChIKeyIOGYAMOLBHJYKG-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.13
Rot. Bonds1

About 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine (PubChem CID 106782368) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine
PubChem CID106782368
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine
SMILESNC1(c2cnc(C(F)(F)F)s2)CCOCC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(13)1-3-15-4-2-8/h5H,1-4,13H2
InChIKeyIOGYAMOLBHJYKG-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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Related Compounds

(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 105729771
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
CID 106782352
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine
CID 106782353
4-Methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
CID 106782361
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]oxan-3-amine
CID 106782370
1-Methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
CID 106782373
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782984
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783095
3-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783096
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783097
4-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783277
Oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783320

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine (CID 106782368) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine is NC1(c2cnc(C(F)(F)F)s2)CCOCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine?
The InChIKey is IOGYAMOLBHJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(13)1-3-15-4-2-8/h5H,1-4,13H2.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-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 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106782368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).