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

C13H9ClN2S — CID 4130152

IUPAC2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C13H9ClN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChIKeyATTFNIVPYMRDEI-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.20
Rot. Bonds1

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

2-(4-chlorophenyl)-1,3-benzothiazol-6-amine (PubChem CID 4130152) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
PubChem CID4130152
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C13H9ClN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChIKeyATTFNIVPYMRDEI-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.20
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

2-(3-bromo-4-fluorophenyl)-1,3-benzothiazol-6-amine
CID 107954879
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66202869
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
CID 82190051
2-(3-bromo-5-methylphenyl)-1,3-benzothiazol-6-amine
CID 113461111
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]boronic acid
CID 140929260
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine (CID 4130152) is 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine?
The InChIKey is ATTFNIVPYMRDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2.
What are the key properties of 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine?
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine has a molecular weight of 260.75 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 4130152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).