N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C13H13F3N2OS — CID 106927213

IUPACN-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CSc1ncco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2OS/c1-17-11(8-20-12-18-5-6-19-12)9-3-2-4-10(7-9)13(14,15)16/h2-7,11,17H,8H2,1H3
InChIKeyHMTHMLSBMHQJLI-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 106927213) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID106927213
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CSc1ncco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2OS/c1-17-11(8-20-12-18-5-6-19-12)9-3-2-4-10(7-9)13(14,15)16/h2-7,11,17H,8H2,1H3
InChIKeyHMTHMLSBMHQJLI-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 106927213) is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CNC(CSc1ncco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HMTHMLSBMHQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-17-11(8-20-12-18-5-6-19-12)9-3-2-4-10(7-9)13(14,15)16/h2-7,11,17H,8H2,1H3.
What are the key properties of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 302.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 106927213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).