1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one

C14H18N4OS — CID 19578115

IUPAC1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N2CC(=O)NC2=S)cc1
InChIInChI=1S/C14H18N4OS/c1-3-17(4-2)12-7-5-11(6-8-12)9-15-18-10-13(19)16-14(18)20/h5-9H,3-4,10H2,1-2H3,(H,16,19,20)/b15-9+
InChIKeyWOYZPOIYJJEIQK-OQLLNIDSSA-N
MW290.39 g/mol
LogP1.58
Rot. Bonds5

About 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one

1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one (PubChem CID 19578115) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one
PubChem CID19578115
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N2CC(=O)NC2=S)cc1
InChIInChI=1S/C14H18N4OS/c1-3-17(4-2)12-7-5-11(6-8-12)9-15-18-10-13(19)16-14(18)20/h5-9H,3-4,10H2,1-2H3,(H,16,19,20)/b15-9+
InChIKeyWOYZPOIYJJEIQK-OQLLNIDSSA-N
XLogP1.58
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one (CID 19578115) is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one is CCN(CC)c1ccc(/C=N/N2CC(=O)NC2=S)cc1.
What is the InChIKey of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WOYZPOIYJJEIQK-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-17(4-2)12-7-5-11(6-8-12)9-15-18-10-13(19)16-14(18)20/h5-9H,3-4,10H2,1-2H3,(H,16,19,20)/b15-9+.
What are the key properties of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one?
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 290.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19578115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).