3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C19H15N3O3S2 — CID 6859550

IUPAC3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC
InChIInChI=1S/C19H15N3O3S2/c1-24-14-6-5-12(8-15(14)25-2)9-21-22-11-20-18-17(19(22)23)13(10-27-18)16-4-3-7-26-16/h3-11H,1-2H3/b21-9+
InChIKeyVSQSJGZSFWKMMU-ZVBGSRNCSA-N
MW397.48 g/mol
LogP4.09
Rot. Bonds5

About 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6859550) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID6859550
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC
InChIInChI=1S/C19H15N3O3S2/c1-24-14-6-5-12(8-15(14)25-2)9-21-22-11-20-18-17(19(22)23)13(10-27-18)16-4-3-7-26-16/h3-11H,1-2H3/b21-9+
InChIKeyVSQSJGZSFWKMMU-ZVBGSRNCSA-N
XLogP4.09
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[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)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 6859550) is 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC.
What is the InChIKey of 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is VSQSJGZSFWKMMU-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-24-14-6-5-12(8-15(14)25-2)9-21-22-11-20-18-17(19(22)23)13(10-27-18)16-4-3-7-26-16/h3-11H,1-2H3/b21-9+.
What are the key properties of 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6859550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).