(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione

C12H12N2O2S — CID 101250562

IUPAC(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=C/Sc2ccccc2)N(C)C1=O
InChIInChI=1S/C12H12N2O2S/c1-13-10(11(15)14(2)12(13)16)8-17-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKeyNKAGIMPNBBHZFT-NTMALXAHSA-N
MW248.31 g/mol
LogP2.14
Rot. Bonds2

About (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione

(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione (PubChem CID 101250562) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione
PubChem CID101250562
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=C/Sc2ccccc2)N(C)C1=O
InChIInChI=1S/C12H12N2O2S/c1-13-10(11(15)14(2)12(13)16)8-17-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKeyNKAGIMPNBBHZFT-NTMALXAHSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
CID 86276322
1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione
CID 91962836
(5E)-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 139232133
(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 10784738
(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
CID 70552065
3-phenyl-4-(phenylsulfanylmethylidene)-1,2-oxazol-5-one
CID 71391559
1-methyl-3-(phenyldisulfanyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 130459903
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
1,3-dimethyl-5-[[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3116899
phenyl N-methylmethanimidothioate
CID 143977879
3-anilino-4-chloro-1-methylpyrrole-2,5-dione
CID 12553293

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione (CID 101250562) is (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione is CN1C(=O)/C(=C/Sc2ccccc2)N(C)C1=O.
What is the InChIKey of (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione?
The InChIKey is NKAGIMPNBBHZFT-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-13-10(11(15)14(2)12(13)16)8-17-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-.
What are the key properties of (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione?
(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione has a molecular weight of 248.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 101250562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).