N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine

C13H7Cl2FN2S — CID 43306998

IUPACN-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-9(12(8)15)17-13-18-10-6-7(16)4-5-11(10)19-13/h1-6H,(H,17,18)
InChIKeyRIVNUOQYWQUEKU-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.49
Rot. Bonds2

About N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine

N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306998) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306998
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC NameN-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-9(12(8)15)17-13-18-10-6-7(16)4-5-11(10)19-13/h1-6H,(H,17,18)
InChIKeyRIVNUOQYWQUEKU-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.18
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 43306998) is N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2sc(Nc3cccc(Cl)c3Cl)nc2c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is RIVNUOQYWQUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-9(12(8)15)17-13-18-10-6-7(16)4-5-11(10)19-13/h1-6H,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 313.18 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).