(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C12H11FN2OS — CID 897919

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(F)cc2)N(C)C1=S
InChIInChI=1S/C12H11FN2OS/c1-14-10(11(16)15(2)12(14)17)7-8-3-5-9(13)6-4-8/h3-7H,1-2H3/b10-7+
InChIKeySCCJWPLJLUGIDD-JXMROGBWSA-N
MW250.30 g/mol
LogP1.86
Rot. Bonds1

About (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 897919) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID897919
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(F)cc2)N(C)C1=S
InChIInChI=1S/C12H11FN2OS/c1-14-10(11(16)15(2)12(14)17)7-8-3-5-9(13)6-4-8/h3-7H,1-2H3/b10-7+
InChIKeySCCJWPLJLUGIDD-JXMROGBWSA-N
XLogP1.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-5-((E)-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 1712589
5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
CID 687302
5-Benzylidene-2-thiohydantoin
CID 1396823
5-(4-Methylbenzylidene)-2-thioxo-4-imidazolidinone
CID 5469194
(Z)-5-((E)-2-methyl-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 6383873
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1712594
4-Imidazolidinone, 3-methyl-5-((4-methylphenyl)methylene)-2-thioxo-
CID 1616943
2,4-Imidazolidinedione, 3-methyl-5-((4-methylphenyl)methylene)-
CID 5964741
5-(3-Phenyl-2-propenylidene)-2-thioxoimidazolidin-4-one
CID 746867
2-Sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-4-one
CID 3001896
(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2166229
(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 710216

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 897919) is (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C\c2ccc(F)cc2)N(C)C1=S.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SCCJWPLJLUGIDD-JXMROGBWSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-14-10(11(16)15(2)12(14)17)7-8-3-5-9(13)6-4-8/h3-7H,1-2H3/b10-7+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).