2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine

C13H8ClFN2S — CID 95482954

IUPAC2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
SMILESNc1cccc2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C13H8ClFN2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2
InChIKeyAFUIWRBYGGRYCW-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.34
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine

2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine (PubChem CID 95482954) has the molecular formula C13H8ClFN2S and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
PubChem CID95482954
Molecular FormulaC13H8ClFN2S
Molecular Weight278.74 g/mol
Exact Mass278.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
SMILESNc1cccc2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C13H8ClFN2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2
InChIKeyAFUIWRBYGGRYCW-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.34
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-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine (CID 95482954) is 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine is Nc1cccc2nc(-c3c(F)cccc3Cl)sc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine?
The InChIKey is AFUIWRBYGGRYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine?
2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine has a molecular weight of 278.74 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine is sourced from PubChem (CID 95482954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).