6-fluoro-N-phenyl-1,3-benzothiazol-2-amine

C13H9FN2S — CID 7086354

IUPAC6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C13H9FN2S/c14-9-6-7-11-12(8-9)17-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyLPCVVVLTUPKXIU-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.18
Rot. Bonds2

About 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine

6-fluoro-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 7086354) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID7086354
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C13H9FN2S/c14-9-6-7-11-12(8-9)17-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyLPCVVVLTUPKXIU-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
2-Amino-6-methylbenzothiazole
CID 17335
2,6-Benzothiazolediamine
CID 21504
2-Benzothiazolinone, hydrazone
CID 11988
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
2-Amino-6-(trifluoromethylthio)benzothiazole
CID 2735964

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine (CID 7086354) is 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3ccccc3)sc2c1.
What is the InChIKey of 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is LPCVVVLTUPKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-9-6-7-11-12(8-9)17-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16).
What are the key properties of 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine?
6-fluoro-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 244.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).