5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

C16H10N4O2S — CID 9298745

IUPAC5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccco3)csc2ncn1/N=C\c1ccncc1
InChIInChI=1S/C16H10N4O2S/c21-16-14-12(13-2-1-7-22-13)9-23-15(14)18-10-20(16)19-8-11-3-5-17-6-4-11/h1-10H/b19-8-
InChIKeyVGGLYDWOENTBEX-UWVJOHFNSA-N
MW322.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 9298745) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID9298745
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccco3)csc2ncn1/N=C\c1ccncc1
InChIInChI=1S/C16H10N4O2S/c21-16-14-12(13-2-1-7-22-13)9-23-15(14)18-10-20(16)19-8-11-3-5-17-6-4-11/h1-10H/b19-8-
InChIKeyVGGLYDWOENTBEX-UWVJOHFNSA-N
XLogP3.00
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(Z)-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]iminomethyl]-N-methylanilino]propanenitrile
CID 9042810
5-(furan-2-yl)-3-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9299028
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 135800382
3-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 9298948
3-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 9299038
3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42993564
2-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanethioamide
CID 39159325
3-[(Z)-furan-2-ylmethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 5450773
4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42995008
3-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-2,2-dimethylpropanoic acid
CID 28898290
5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6045430

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 9298745) is 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccco3)csc2ncn1/N=C\c1ccncc1.
What is the InChIKey of 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VGGLYDWOENTBEX-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-16-14-12(13-2-1-7-22-13)9-23-15(14)18-10-20(16)19-8-11-3-5-17-6-4-11/h1-10H/b19-8-.
What are the key properties of 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 322.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9298745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).