3-(2-phenoxyethyl)-1,3-benzothiazol-2-one

C15H13NO2S — CID 644526

IUPAC3-(2-phenoxyethyl)-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-15-16(13-8-4-5-9-14(13)19-15)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPWFRUVAXYCWKLC-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.14
Rot. Bonds4

About 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one

3-(2-phenoxyethyl)-1,3-benzothiazol-2-one (PubChem CID 644526) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-1,3-benzothiazol-2-one
PubChem CID644526
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-(2-phenoxyethyl)-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-15-16(13-8-4-5-9-14(13)19-15)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPWFRUVAXYCWKLC-UHFFFAOYSA-N
XLogP3.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one (CID 644526) is 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one?
The InChIKey is PWFRUVAXYCWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-15-16(13-8-4-5-9-14(13)19-15)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one?
3-(2-phenoxyethyl)-1,3-benzothiazol-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 644526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).