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

C13H7Cl2FN2S — CID 79527911

IUPAC6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H7Cl2FN2S/c14-7-1-3-9(16)11(5-7)18-13-17-10-4-2-8(15)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyQSLRIKKISFQADV-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.49
Rot. Bonds2

About 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79527911) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79527911
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H7Cl2FN2S/c14-7-1-3-9(16)11(5-7)18-13-17-10-4-2-8(15)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyQSLRIKKISFQADV-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

6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (CID 79527911) is 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is Fc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is QSLRIKKISFQADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c14-7-1-3-9(16)11(5-7)18-13-17-10-4-2-8(15)6-12(10)19-13/h1-6H,(H,17,18).
What are the key properties of 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(5-chloro-2-fluorophenyl)-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 6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79527911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).