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

C13H7Cl3N2S — CID 79528843

IUPAC6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H7Cl3N2S/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)
InChIKeyXRACWBRAZZMAMC-UHFFFAOYSA-N
MW329.64 g/mol
LogP6.00
Rot. Bonds2

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

6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79528843) has the molecular formula C13H7Cl3N2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79528843
Molecular FormulaC13H7Cl3N2S
Molecular Weight329.64 g/mol
Exact Mass327.94
IUPAC Name6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H7Cl3N2S/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)
InChIKeyXRACWBRAZZMAMC-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-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine (CID 79528843) is 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine is Clc1ccc(Cl)c(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is XRACWBRAZZMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2S/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-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2,5-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-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).