3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one

C17H11N3O2S — CID 6865336

IUPAC3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1
InChIInChI=1S/C17H11N3O2S/c21-17-14-9-15(12-5-2-1-3-6-12)23-16(14)18-11-20(17)19-10-13-7-4-8-22-13/h1-11H/b19-10+
InChIKeyDPTUFVUNKQQLGO-VXLYETTFSA-N
MW321.36 g/mol
LogP3.60
Rot. Bonds3

About 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one

3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6865336) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID6865336
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1
InChIInChI=1S/C17H11N3O2S/c21-17-14-9-15(12-5-2-1-3-6-12)23-16(14)18-11-20(17)19-10-13-7-4-8-22-13/h1-11H/b19-10+
InChIKeyDPTUFVUNKQQLGO-VXLYETTFSA-N
XLogP3.60
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-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-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 6865336) is 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one is O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is DPTUFVUNKQQLGO-VXLYETTFSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-17-14-9-15(12-5-2-1-3-6-12)23-16(14)18-11-20(17)19-10-13-7-4-8-22-13/h1-11H/b19-10+.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 321.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6865336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).