5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H11F3N2S — CID 11623901

IUPAC5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H11F3N2S/c17-16(18,19)12-7-4-8-13(9-12)21-15-20-10-14(22-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyDHYJQJISCDIOTH-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.57
Rot. Bonds3

About 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 11623901) has the molecular formula C16H11F3N2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID11623901
Molecular FormulaC16H11F3N2S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Name5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H11F3N2S/c17-16(18,19)12-7-4-8-13(9-12)21-15-20-10-14(22-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyDHYJQJISCDIOTH-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 11623901) is 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(Nc2ncc(-c3ccccc3)s2)c1.
What is the InChIKey of 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DHYJQJISCDIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2S/c17-16(18,19)12-7-4-8-13(9-12)21-15-20-10-14(22-15)11-5-2-1-3-6-11/h1-10H,(H,20,21).
What are the key properties of 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 320.34 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11623901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).