2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine

C13H7F3N2S — CID 66202280

IUPAC2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3c(F)cc(F)cc3F)sc2c1
InChIInChI=1S/C13H7F3N2S/c14-6-3-8(15)12(9(16)4-6)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H,17H2
InChIKeyUALMZILYABUCOI-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.96
Rot. Bonds1

About 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine

2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine (PubChem CID 66202280) has the molecular formula C13H7F3N2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
PubChem CID66202280
Molecular FormulaC13H7F3N2S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3c(F)cc(F)cc3F)sc2c1
InChIInChI=1S/C13H7F3N2S/c14-6-3-8(15)12(9(16)4-6)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H,17H2
InChIKeyUALMZILYABUCOI-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine (CID 66202280) is 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3c(F)cc(F)cc3F)sc2c1.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine?
The InChIKey is UALMZILYABUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S/c14-6-3-8(15)12(9(16)4-6)13-18-10-2-1-7(17)5-11(10)19-13/h1-5H,17H2.
What are the key properties of 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine?
2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine has a molecular weight of 280.27 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).