(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

C12H17N3O2S — CID 130328037

IUPAC(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\N2CCOCC2)N(C)C1=S
InChIInChI=1S/C12H17N3O2S/c1-13-10(11(16)14(2)12(13)18)4-3-5-15-6-8-17-9-7-15/h3-5H,6-9H2,1-2H3/b5-3+,10-4+
InChIKeyUDAFBTHPXVURGX-OXWOXFIQSA-N
MW267.35 g/mol
LogP0.40
Rot. Bonds2

About (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 130328037) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID130328037
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\N2CCOCC2)N(C)C1=S
InChIInChI=1S/C12H17N3O2S/c1-13-10(11(16)14(2)12(13)18)4-3-5-15-6-8-17-9-7-15/h3-5H,6-9H2,1-2H3/b5-3+,10-4+
InChIKeyUDAFBTHPXVURGX-OXWOXFIQSA-N
XLogP0.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[3-[(E)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 1025793
1,3-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 963249
5-(1,3-benzodioxol-5-ylmethylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 839150
2,5-dichloro-3-morpholin-4-yl-6-[(E)-2-morpholin-4-ylethenyl]cyclohexa-2,5-diene-1,4-dione
CID 5341257
4-(2-cyclohexylethenyl)morpholine
CID 54339222
1-chloropropane;morpholine-4-carbaldehyde
CID 165401429
4-(2-cyclopropylethenyl)morpholine
CID 85369162
3-ethyl-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3786520
1,3-dimethyl-5-[(1-methylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50853603
4-hex-1-en-3,5-diynylmorpholine
CID 71437601
1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]-5-nitropyrimidine-2,4-dione
CID 802989
tert-butyl-dimethyl-[(1E,3E)-4-morpholin-4-ylbuta-1,3-dienoxy]silane
CID 101391276

Frequently Asked Questions

What is the IUPAC name of (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 130328037) is (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C\C=C\N2CCOCC2)N(C)C1=S.
What is the InChIKey of (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UDAFBTHPXVURGX-OXWOXFIQSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-13-10(11(16)14(2)12(13)18)4-3-5-15-6-8-17-9-7-15/h3-5H,6-9H2,1-2H3/b5-3+,10-4+.
What are the key properties of (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 267.35 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,3-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 130328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).