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

C13H7Cl3N2S — CID 43306502

IUPAC5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C13H7Cl3N2S/c14-7-1-3-9(16)10(5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeyCUSAIVNWMZBVQA-UHFFFAOYSA-N
MW329.64 g/mol
LogP6.00
Rot. Bonds2

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

5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306502) has the molecular formula C13H7Cl3N2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID43306502
Molecular FormulaC13H7Cl3N2S
Molecular Weight329.64 g/mol
Exact Mass327.94
IUPAC Name5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C13H7Cl3N2S/c14-7-1-3-9(16)10(5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeyCUSAIVNWMZBVQA-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine (CID 43306502) is 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine is Clc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1.
What is the InChIKey of 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is CUSAIVNWMZBVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2S/c14-7-1-3-9(16)10(5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18).
What are the key properties of 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
5-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 5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).