3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one

C15H11Cl2NO2S — CID 18823322

IUPAC3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO2S/c16-10-5-6-13(11(17)9-10)20-8-7-18-12-3-1-2-4-14(12)21-15(18)19/h1-6,9H,7-8H2
InChIKeyPZMWKTFZHHIRAV-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.45
Rot. Bonds4

About 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one

3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one (PubChem CID 18823322) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one
PubChem CID18823322
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO2S/c16-10-5-6-13(11(17)9-10)20-8-7-18-12-3-1-2-4-14(12)21-15(18)19/h1-6,9H,7-8H2
InChIKeyPZMWKTFZHHIRAV-UHFFFAOYSA-N
XLogP4.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenoxy)propyl]-1,3-benzothiazol-2-one
CID 3898051
3-[2-(2-methoxyphenoxy)ethyl]-1,3-benzothiazol-2-one
CID 656169
3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
CID 4576921
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3437777
3-[2-(4-bromophenoxy)ethyl]-1,3-benzothiazol-2-one
CID 18823324
3-[3-(2-methylphenoxy)propyl]-1,3-benzothiazol-2-one
CID 3157897
3-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-benzothiazol-2-one
CID 18823328
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
CID 3924477
3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one;hydrate
CID 51056962
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one (CID 18823322) is 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one?
The InChIKey is PZMWKTFZHHIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c16-10-5-6-13(11(17)9-10)20-8-7-18-12-3-1-2-4-14(12)21-15(18)19/h1-6,9H,7-8H2.
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one?
3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one has a molecular weight of 340.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 18823322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).