6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine

C13H8Cl2N2S — CID 5044430

IUPAC6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H,16,17)
InChIKeyGBAKYKWLMZDSRW-UHFFFAOYSA-N
MW295.19 g/mol
LogP5.35
Rot. Bonds2

About 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 5044430) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID5044430
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H,16,17)
InChIKeyGBAKYKWLMZDSRW-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.19
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine (CID 5044430) is 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine is Clc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is GBAKYKWLMZDSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H,16,17).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 295.19 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).