3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

C18H13N3O2S — CID 6893498

IUPAC3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccco1
InChIInChI=1S/C18H13N3O2S/c1-12-20-17-16(15(11-24-17)13-6-3-2-4-7-13)18(22)21(12)19-10-14-8-5-9-23-14/h2-11H,1H3/b19-10+
InChIKeyMJYNEZLRVTUFPM-VXLYETTFSA-N
MW335.39 g/mol
LogP3.91
Rot. Bonds3

About 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6893498) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID6893498
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccco1
InChIInChI=1S/C18H13N3O2S/c1-12-20-17-16(15(11-24-17)13-6-3-2-4-7-13)18(22)21(12)19-10-14-8-5-9-23-14/h2-11H,1H3/b19-10+
InChIKeyMJYNEZLRVTUFPM-VXLYETTFSA-N
XLogP3.91
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 6893498) is 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MJYNEZLRVTUFPM-VXLYETTFSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-12-20-17-16(15(11-24-17)13-6-3-2-4-7-13)18(22)21(12)19-10-14-8-5-9-23-14/h2-11H,1H3/b19-10+.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-furan-2-ylmethylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.91, 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]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6893498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).