(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate

C12H9NO4S — CID 2998336

IUPAC(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate
SMILESO=C(OC1CCOC1=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H9NO4S/c14-11(17-9-3-4-16-12(9)15)7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2
InChIKeyFNABQIIEINHIHW-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.77
Rot. Bonds2

About (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate

(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate (PubChem CID 2998336) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate
PubChem CID2998336
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate
SMILESO=C(OC1CCOC1=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H9NO4S/c14-11(17-9-3-4-16-12(9)15)7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2
InChIKeyFNABQIIEINHIHW-UHFFFAOYSA-N
XLogP1.77
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate (CID 2998336) is (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate is O=C(OC1CCOC1=O)c1ccc2ncsc2c1.
What is the InChIKey of (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate?
The InChIKey is FNABQIIEINHIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c14-11(17-9-3-4-16-12(9)15)7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2.
What are the key properties of (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate?
(2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 2998336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).