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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Related Compounds

N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306582
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503

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).