3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one

C20H19N3O3S2 — CID 36572282

IUPAC3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one
SMILESC=CCn1c(SCCN2CCOC2=O)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H19N3O3S2/c1-2-8-23-18(24)16-15(14-6-4-3-5-7-14)13-28-17(16)21-19(23)27-12-10-22-9-11-26-20(22)25/h2-7,13H,1,8-12H2
InChIKeyVGAKJNWCGNAFCV-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.86
Rot. Bonds7

About 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one

3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one (PubChem CID 36572282) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one
PubChem CID36572282
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one
SMILESC=CCn1c(SCCN2CCOC2=O)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H19N3O3S2/c1-2-8-23-18(24)16-15(14-6-4-3-5-7-14)13-28-17(16)21-19(23)27-12-10-22-9-11-26-20(22)25/h2-7,13H,1,8-12H2
InChIKeyVGAKJNWCGNAFCV-UHFFFAOYSA-N
XLogP3.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one (CID 36572282) is 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one is C=CCn1c(SCCN2CCOC2=O)nc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one?
The InChIKey is VGAKJNWCGNAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-2-8-23-18(24)16-15(14-6-4-3-5-7-14)13-28-17(16)21-19(23)27-12-10-22-9-11-26-20(22)25/h2-7,13H,1,8-12H2.
What are the key properties of 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one?
3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 36572282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).