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

C13H7ClF2N2S — CID 107368358

IUPACN-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C13H7ClF2N2S/c14-7-3-9(16)5-10(4-7)17-13-18-11-6-8(15)1-2-12(11)19-13/h1-6H,(H,17,18)
InChIKeyUFLOLBDUUFXHGK-UHFFFAOYSA-N
MW296.73 g/mol
LogP4.97
Rot. Bonds2

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

N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 107368358) has the molecular formula C13H7ClF2N2S and a molecular weight of 296.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID107368358
Molecular FormulaC13H7ClF2N2S
Molecular Weight296.73 g/mol
Exact Mass296.00
IUPAC NameN-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C13H7ClF2N2S/c14-7-3-9(16)5-10(4-7)17-13-18-11-6-8(15)1-2-12(11)19-13/h1-6H,(H,17,18)
InChIKeyUFLOLBDUUFXHGK-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306395
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(3-bromo-5-methoxyphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 82860896
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953
3-[(5-fluoro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 43306836

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 107368358) is N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is Fc1cc(Cl)cc(Nc2nc3cc(F)ccc3s2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is UFLOLBDUUFXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2S/c14-7-3-9(16)5-10(4-7)17-13-18-11-6-8(15)1-2-12(11)19-13/h1-6H,(H,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 296.73 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107368358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).