7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine

C13H7Cl2FN2S — CID 43306199

IUPAC7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3cccc(Cl)c3s2)cc1Cl
InChIInChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-11-12(8)19-13(18-11)17-7-4-5-10(16)9(15)6-7/h1-6H,(H,17,18)
InChIKeyIKASLMOYMWOAJC-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.49
Rot. Bonds2

About 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306199) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID43306199
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3cccc(Cl)c3s2)cc1Cl
InChIInChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-11-12(8)19-13(18-11)17-7-4-5-10(16)9(15)6-7/h1-6H,(H,17,18)
InChIKeyIKASLMOYMWOAJC-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

7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
7-chloro-N-(1-ethylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 43543935
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine (CID 43306199) is 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine is Fc1ccc(Nc2nc3cccc(Cl)c3s2)cc1Cl.
What is the InChIKey of 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is IKASLMOYMWOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c14-8-2-1-3-11-12(8)19-13(18-11)17-7-4-5-10(16)9(15)6-7/h1-6H,(H,17,18).
What are the key properties of 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(3-chloro-4-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 7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).