2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine

C17H17ClN2O2S — CID 69148258

IUPAC2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)9-10-21-13-4-6-14(7-5-13)22-17-19-15-8-3-12(18)11-16(15)23-17/h3-8,11H,9-10H2,1-2H3
InChIKeyXOJMBIYALCDXIR-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.68
Rot. Bonds6

About 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine

2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine (PubChem CID 69148258) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine
PubChem CID69148258
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)9-10-21-13-4-6-14(7-5-13)22-17-19-15-8-3-12(18)11-16(15)23-17/h3-8,11H,9-10H2,1-2H3
InChIKeyXOJMBIYALCDXIR-UHFFFAOYSA-N
XLogP4.68
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 57215820
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-methylpropanoic acid
CID 126644742
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126644816
1-[(1R,4R)-5-[2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 67206995
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-3-ethylhexanal
CID 57317228
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide
CID 160971171
ethyl 3-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 57232217
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-ethoxyphenoxy)acetamide
CID 43964795
4-[(5-chloro-1,3-benzothiazol-2-yl)oxy]aniline
CID 21298104

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine (CID 69148258) is 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine?
The InChIKey is XOJMBIYALCDXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-20(2)9-10-21-13-4-6-14(7-5-13)22-17-19-15-8-3-12(18)11-16(15)23-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine?
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine has a molecular weight of 348.86 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 69148258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).