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

C16H10N4OS2 — CID 6859799

IUPAC3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3cccs3)csc2ncn1/N=C/c1ccccn1
InChIInChI=1S/C16H10N4OS2/c21-16-14-12(13-5-3-7-22-13)9-23-15(14)18-10-20(16)19-8-11-4-1-2-6-17-11/h1-10H/b19-8+
InChIKeyMLSHIRBZNJJVJG-UFWORHAWSA-N
MW338.42 g/mol
LogP3.46
Rot. Bonds3

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

3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6859799) has the molecular formula C16H10N4OS2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID6859799
Molecular FormulaC16H10N4OS2
Molecular Weight338.42 g/mol
Exact Mass338.03
IUPAC Name3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3cccs3)csc2ncn1/N=C/c1ccccn1
InChIInChI=1S/C16H10N4OS2/c21-16-14-12(13-5-3-7-22-13)9-23-15(14)18-10-20(16)19-8-11-4-1-2-6-17-11/h1-10H/b19-8+
InChIKeyMLSHIRBZNJJVJG-UFWORHAWSA-N
XLogP3.46
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 6859799) is 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3cccs3)csc2ncn1/N=C/c1ccccn1.
What is the InChIKey of 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MLSHIRBZNJJVJG-UFWORHAWSA-N. The full InChI is InChI=1S/C16H10N4OS2/c21-16-14-12(13-5-3-7-22-13)9-23-15(14)18-10-20(16)19-8-11-4-1-2-6-17-11/h1-10H/b19-8+.
What are the key properties of 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 338.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6859799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).