(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C12H13N3OS — CID 1489881

IUPAC(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)/C=C1\NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13N3OS/c1-14(2)8-10-11(16)15(12(17)13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,17)/b10-8-
InChIKeyCZHFZTNMDDBJRB-NTMALXAHSA-N
MW247.32 g/mol
LogP1.31
Rot. Bonds2

About (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 1489881) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID1489881
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCN(C)/C=C1\NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C12H13N3OS/c1-14(2)8-10-11(16)15(12(17)13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,17)/b10-8-
InChIKeyCZHFZTNMDDBJRB-NTMALXAHSA-N
XLogP1.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 1489881) is (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one is CN(C)/C=C1\NC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is CZHFZTNMDDBJRB-NTMALXAHSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-14(2)8-10-11(16)15(12(17)13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,17)/b10-8-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1489881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).