5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

C21H17N3O3S — CID 146262560

IUPAC5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(/C=C/c2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C21H17N3O3S/c1-13-12-15(8-10-22-13)3-2-14-4-6-16(7-5-14)28-17-9-11-27-19(17)18-20(25)24-21(26)23-18/h2-12,18H,1H3,(H2,23,24,25,26)/b3-2+
InChIKeyOHJQWQMCZJBJMI-NSCUHMNNSA-N
MW391.45 g/mol
LogP4.19
Rot. Bonds5

About 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 146262560) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID146262560
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(/C=C/c2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C21H17N3O3S/c1-13-12-15(8-10-22-13)3-2-14-4-6-16(7-5-14)28-17-9-11-27-19(17)18-20(25)24-21(26)23-18/h2-12,18H,1H3,(H2,23,24,25,26)/b3-2+
InChIKeyOHJQWQMCZJBJMI-NSCUHMNNSA-N
XLogP4.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 146262560) is 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is Cc1cc(/C=C/c2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is OHJQWQMCZJBJMI-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-13-12-15(8-10-22-13)3-2-14-4-6-16(7-5-14)28-17-9-11-27-19(17)18-20(25)24-21(26)23-18/h2-12,18H,1H3,(H2,23,24,25,26)/b3-2+.
What are the key properties of 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 391.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).