3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C13H13F3N2OS — CID 22167103

IUPAC3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)9-1-3-10(4-2-9)19-11(5-6-17)12-18-7-8-20-12/h1-4,7-8,11H,5-6,17H2
InChIKeyVFGQMAKPRLAVIP-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.63
Rot. Bonds5

About 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 22167103) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID22167103
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)9-1-3-10(4-2-9)19-11(5-6-17)12-18-7-8-20-12/h1-4,7-8,11H,5-6,17H2
InChIKeyVFGQMAKPRLAVIP-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 22167103) is 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is VFGQMAKPRLAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c14-13(15,16)9-1-3-10(4-2-9)19-11(5-6-17)12-18-7-8-20-12/h1-4,7-8,11H,5-6,17H2.
What are the key properties of 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 302.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 22167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).