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

C20H18N4O3S — CID 146262379

IUPAC5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(CNc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H18N4O3S/c1-12-10-13(6-8-21-12)11-22-14-2-4-15(5-3-14)28-16-7-9-27-18(16)17-19(25)24-20(26)23-17/h2-10,17,22H,11H2,1H3,(H2,23,24,25,26)
InChIKeyVAYNCUKGTDWWCR-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.63
Rot. Bonds6

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

5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 146262379) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID146262379
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(CNc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H18N4O3S/c1-12-10-13(6-8-21-12)11-22-14-2-4-15(5-3-14)28-16-7-9-27-18(16)17-19(25)24-20(26)23-17/h2-10,17,22H,11H2,1H3,(H2,23,24,25,26)
InChIKeyVAYNCUKGTDWWCR-UHFFFAOYSA-N
XLogP3.63
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 146262379) is 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is Cc1cc(CNc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is VAYNCUKGTDWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-10-13(6-8-21-12)11-22-14-2-4-15(5-3-14)28-16-7-9-27-18(16)17-19(25)24-20(26)23-17/h2-10,17,22H,11H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 394.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).