3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one

C12H12N2O3S — CID 11837258

IUPAC3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCCOc1ccc2nc(N3CCOC3=O)sc2c1
InChIInChI=1S/C12H12N2O3S/c1-2-16-8-3-4-9-10(7-8)18-11(13-9)14-5-6-17-12(14)15/h3-4,7H,2,5-6H2,1H3
InChIKeyUGYDKNXCZWRUHB-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.65
Rot. Bonds3

About 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one

3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 11837258) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID11837258
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCCOc1ccc2nc(N3CCOC3=O)sc2c1
InChIInChI=1S/C12H12N2O3S/c1-2-16-8-3-4-9-10(7-8)18-11(13-9)14-5-6-17-12(14)15/h3-4,7H,2,5-6H2,1H3
InChIKeyUGYDKNXCZWRUHB-UHFFFAOYSA-N
XLogP2.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941572
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 9003928
4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 146145584
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
6-ethoxy-2-methylsulfinyl-1,3-benzothiazole
CID 119089586
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-hydroxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154566228
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 7292571

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one (CID 11837258) is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one is CCOc1ccc2nc(N3CCOC3=O)sc2c1.
What is the InChIKey of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is UGYDKNXCZWRUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-16-8-3-4-9-10(7-8)18-11(13-9)14-5-6-17-12(14)15/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one?
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 264.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11837258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).