(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

C11H12N2O2S — CID 5411335

IUPAC(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C\c2ccc(C)s2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-3-13-10(14)9(12-11(13)15)6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,12,15)/b9-6-
InChIKeyNBOVIMYDPCVOHJ-TWGQIWQCSA-N
MW236.30 g/mol
LogP1.97
Rot. Bonds2

About (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 5411335) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID5411335
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C\c2ccc(C)s2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-3-13-10(14)9(12-11(13)15)6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,12,15)/b9-6-
InChIKeyNBOVIMYDPCVOHJ-TWGQIWQCSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
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

3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5E)-1-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126395367
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2173721
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
(5E)-3-ethyl-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126239118
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
CID 156538318
5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 1006561

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 5411335) is (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C\c2ccc(C)s2)C1=O.
What is the InChIKey of (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NBOVIMYDPCVOHJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-13-10(14)9(12-11(13)15)6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,12,15)/b9-6-.
What are the key properties of (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 236.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).