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

C13H9FN2S — CID 11964482

IUPAC2-(4-fluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C13H9FN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChIKeyNTKYDIXDAVHHLS-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.68
Rot. Bonds1

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

2-(4-fluorophenyl)-1,3-benzothiazol-6-amine (PubChem CID 11964482) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-benzothiazol-6-amine
PubChem CID11964482
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name2-(4-fluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C13H9FN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChIKeyNTKYDIXDAVHHLS-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.68
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-(4-fluorophenyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine (CID 11964482) is 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine?
The InChIKey is NTKYDIXDAVHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2.
What are the key properties of 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine?
2-(4-fluorophenyl)-1,3-benzothiazol-6-amine has a molecular weight of 244.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 11964482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).