[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate

C12H9NO4S2 — CID 174366558

IUPAC[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate
SMILESCC(=O)OC1=C(O)c2sc(-c3ccco3)cc2SN1
InChIInChI=1S/C12H9NO4S2/c1-6(14)17-12-10(15)11-9(19-13-12)5-8(18-11)7-3-2-4-16-7/h2-5,13,15H,1H3
InChIKeyXZLMKBFOXPQGKB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.37
Rot. Bonds2

About [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate

[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate (PubChem CID 174366558) has the molecular formula C12H9NO4S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate.

Molecular Properties

Compound Name[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate
PubChem CID174366558
Molecular FormulaC12H9NO4S2
Molecular Weight295.34 g/mol
Exact Mass295.00
IUPAC Name[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate
SMILESCC(=O)OC1=C(O)c2sc(-c3ccco3)cc2SN1
InChIInChI=1S/C12H9NO4S2/c1-6(14)17-12-10(15)11-9(19-13-12)5-8(18-11)7-3-2-4-16-7/h2-5,13,15H,1H3
InChIKeyXZLMKBFOXPQGKB-UHFFFAOYSA-N
XLogP3.37
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate?
The IUPAC name of [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate (CID 174366558) is [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate.
What is the SMILES notation for [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate?
The canonical SMILES for [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate is CC(=O)OC1=C(O)c2sc(-c3ccco3)cc2SN1.
What is the InChIKey of [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate?
The InChIKey is XZLMKBFOXPQGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S2/c1-6(14)17-12-10(15)11-9(19-13-12)5-8(18-11)7-3-2-4-16-7/h2-5,13,15H,1H3.
What are the key properties of [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate?
[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate has a molecular weight of 295.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate is sourced from PubChem (CID 174366558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).