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

C13H7Cl3N2S — CID 79527734

IUPAC6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C13H7Cl3N2S/c14-7-1-4-11-12(5-7)19-13(18-11)17-8-2-3-9(15)10(16)6-8/h1-6H,(H,17,18)
InChIKeyLXSHRSOISLSMOS-UHFFFAOYSA-N
MW329.64 g/mol
LogP6.00
Rot. Bonds2

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

6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79527734) has the molecular formula C13H7Cl3N2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79527734
Molecular FormulaC13H7Cl3N2S
Molecular Weight329.64 g/mol
Exact Mass327.94
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C13H7Cl3N2S/c14-7-1-4-11-12(5-7)19-13(18-11)17-8-2-3-9(15)10(16)6-8/h1-6H,(H,17,18)
InChIKeyLXSHRSOISLSMOS-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.64
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
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
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
CID 142733972
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-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine (CID 79527734) is 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)sc2c1.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is LXSHRSOISLSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2S/c14-7-1-4-11-12(5-7)19-13(18-11)17-8-2-3-9(15)10(16)6-8/h1-6H,(H,17,18).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 329.64 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79527734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).