3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one

C12H14N2O3S — CID 86792243

IUPAC3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1CCCc2nc(CCN3CCOC3=O)sc21
InChIInChI=1S/C12H14N2O3S/c15-9-3-1-2-8-11(9)18-10(13-8)4-5-14-6-7-17-12(14)16/h1-7H2
InChIKeyLIBCEXFUALMKBC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds3

About 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 86792243) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID86792243
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1CCCc2nc(CCN3CCOC3=O)sc21
InChIInChI=1S/C12H14N2O3S/c15-9-3-1-2-8-11(9)18-10(13-8)4-5-14-6-7-17-12(14)16/h1-7H2
InChIKeyLIBCEXFUALMKBC-UHFFFAOYSA-N
XLogP1.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one (CID 86792243) is 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one is O=C1CCCc2nc(CCN3CCOC3=O)sc21.
What is the InChIKey of 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LIBCEXFUALMKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-9-3-1-2-8-11(9)18-10(13-8)4-5-14-6-7-17-12(14)16/h1-7H2.
What are the key properties of 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86792243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).