(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

C14H15N3OS — CID 132522668

IUPAC(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)c1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)11-8-6-10(7-9-11)4-3-5-12-13(18)16-14(19)15-12/h3-9H,1-2H3,(H2,15,16,18,19)/b4-3+,12-5-
InChIKeyOOXOHSMRCVBSDY-UBXZVMTISA-N
MW273.36 g/mol
LogP1.65
Rot. Bonds3

About (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 132522668) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID132522668
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)c1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)11-8-6-10(7-9-11)4-3-5-12-13(18)16-14(19)15-12/h3-9H,1-2H3,(H2,15,16,18,19)/b4-3+,12-5-
InChIKeyOOXOHSMRCVBSDY-UBXZVMTISA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 746867
5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6376062
(5E)-5-[(Z)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 98468081
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126253475
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501423
5-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3459384
(5E)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 59648838
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 132522668) is (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is CN(C)c1ccc(/C=C/C=C2\NC(=S)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OOXOHSMRCVBSDY-UBXZVMTISA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(2)11-8-6-10(7-9-11)4-3-5-12-13(18)16-14(19)15-12/h3-9H,1-2H3,(H2,15,16,18,19)/b4-3+,12-5-.
What are the key properties of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 132522668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).