2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline

C15H12Cl2N2S — CID 54858964

IUPAC2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1
InChIInChI=1S/C15H12Cl2N2S/c1-2-8-3-4-12-13(5-8)20-15(19-12)9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3
InChIKeyUFQVXGPVSIYGLK-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.41
Rot. Bonds2

About 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline

2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 54858964) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
PubChem CID54858964
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1
InChIInChI=1S/C15H12Cl2N2S/c1-2-8-3-4-12-13(5-8)20-15(19-12)9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3
InChIKeyUFQVXGPVSIYGLK-UHFFFAOYSA-N
XLogP5.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858916
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
6-(chloromethyl)-2-(3,4-dichlorophenyl)-1,3-benzothiazole
CID 95909765
2,6-dichloro-4-(5-chloro-1,3-benzothiazol-2-yl)aniline
CID 82830212
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
2,6-dichloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 82830356
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-tert-butyl-6-ethyl-1,3-benzothiazole;ethane
CID 142320574
4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 54859288
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline (CID 54858964) is 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline is CCc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1.
What is the InChIKey of 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is UFQVXGPVSIYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-2-8-3-4-12-13(5-8)20-15(19-12)9-6-10(16)14(18)11(17)7-9/h3-7H,2,18H2,1H3.
What are the key properties of 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 323.25 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 54858964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).