[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate

C16H13NO5S2 — CID 94103957

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate
SMILESCc1nc2c(cc(OCC(=O)O[C@@H]3CCOC3=O)c3ccsc32)s1
InChIInChI=1S/C16H13NO5S2/c1-8-17-14-12(24-8)6-11(9-3-5-23-15(9)14)21-7-13(18)22-10-2-4-20-16(10)19/h3,5-6,10H,2,4,7H2,1H3/t10-/m1/s1
InChIKeyDRZXIUZPTRAEJJ-SNVBAGLBSA-N
MW363.42 g/mol
LogP3.06
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate

[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate (PubChem CID 94103957) has the molecular formula C16H13NO5S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate
PubChem CID94103957
Molecular FormulaC16H13NO5S2
Molecular Weight363.42 g/mol
Exact Mass363.02
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate
SMILESCc1nc2c(cc(OCC(=O)O[C@@H]3CCOC3=O)c3ccsc32)s1
InChIInChI=1S/C16H13NO5S2/c1-8-17-14-12(24-8)6-11(9-3-5-23-15(9)14)21-7-13(18)22-10-2-4-20-16(10)19/h3,5-6,10H,2,4,7H2,1H3/t10-/m1/s1
InChIKeyDRZXIUZPTRAEJJ-SNVBAGLBSA-N
XLogP3.06
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate (CID 94103957) is [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate is Cc1nc2c(cc(OCC(=O)O[C@@H]3CCOC3=O)c3ccsc32)s1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate?
The InChIKey is DRZXIUZPTRAEJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13NO5S2/c1-8-17-14-12(24-8)6-11(9-3-5-23-15(9)14)21-7-13(18)22-10-2-4-20-16(10)19/h3,5-6,10H,2,4,7H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate?
[(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate has a molecular weight of 363.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate is sourced from PubChem (CID 94103957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).