2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine

C15H13ClN2OS — CID 82190051

IUPAC2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H13ClN2OS/c16-11-3-1-10(2-4-11)15-18-13-6-5-12(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2
InChIKeyVNQQBGVMRBXQIW-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.95
Rot. Bonds4

About 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine

2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine (PubChem CID 82190051) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
PubChem CID82190051
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H13ClN2OS/c16-11-3-1-10(2-4-11)15-18-13-6-5-12(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2
InChIKeyVNQQBGVMRBXQIW-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
CID 82190045
4-[6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537270
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
3-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine
CID 62597588
4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
CID 75238702
4-[6-[2-[2-(aminomethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537261
3-[(2-phenyl-1,3-benzothiazol-6-yl)oxy]propanoic acid
CID 82189994
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
CID 82190090
2-[2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethanol
CID 68933643
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine (CID 82190051) is 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine is NCCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The InChIKey is VNQQBGVMRBXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-11-3-1-10(2-4-11)15-18-13-6-5-12(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine has a molecular weight of 304.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine is sourced from PubChem (CID 82190051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).