2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline

C13H8Cl2N2S — CID 43306332

IUPAC2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
SMILESNc1cc(-c2nc3cccc(Cl)c3s2)ccc1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-8-5-4-7(6-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,16H2
InChIKeyKYRJJZLGZJEURS-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.85
Rot. Bonds1

About 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline

2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline (PubChem CID 43306332) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
PubChem CID43306332
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
SMILESNc1cc(-c2nc3cccc(Cl)c3s2)ccc1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-8-5-4-7(6-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,16H2
InChIKeyKYRJJZLGZJEURS-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.85
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

5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 107704631
4-(7-chloro-1,3-benzothiazol-2-yl)-2-nitroaniline
CID 60835566
2-[3-(7-chloro-1,3-benzothiazol-2-yl)phenyl]ethanamine
CID 55237049
2-(7-chloro-1,3-benzothiazol-2-yl)-5-fluoroaniline
CID 43306303
2-(7-chloro-1,3-benzothiazol-2-yl)-6-methylaniline
CID 43306330
2-(4-aminophenyl)-1,3-benzothiazol-7-amine
CID 141212234
2-(7-chloro-1,3-benzothiazol-2-yl)-4-nitroaniline
CID 43306317
2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
7-chloro-1,3-benzothiazole-2-thiolate
CID 86306807
2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
CID 95482954
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495958
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline (CID 43306332) is 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline is Nc1cc(-c2nc3cccc(Cl)c3s2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline?
The InChIKey is KYRJJZLGZJEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-8-5-4-7(6-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,16H2.
What are the key properties of 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline?
2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline has a molecular weight of 295.19 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 43306332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).