5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C12H14N2OS — CID 82997213

IUPAC5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCC1(c2ccc(C)cc2)NC(=S)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-12(10(15)13-11(16)14-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyXGDIQORLVWFWDC-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.60
Rot. Bonds2

About 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997213) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID82997213
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCC1(c2ccc(C)cc2)NC(=S)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-12(10(15)13-11(16)14-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyXGDIQORLVWFWDC-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-5-ethyl-2-sulfanylideneimidazolidin-4-one
CID 82996942
(5S)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7128778
5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 71683811
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
5-(3,4-dimethoxyphenyl)-5-ethylimidazolidine-2,4-dione
CID 71683812
5-benzyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
CID 82997586
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
[4-[4-[(3-bromo-4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]phenyl] methanesulfonate
CID 87720044
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 24549169
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8586905
sodium;5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydride
CID 173031111

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 82997213) is 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is CCC1(c2ccc(C)cc2)NC(=S)NC1=O.
What is the InChIKey of 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XGDIQORLVWFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-12(10(15)13-11(16)14-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).