(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

C9H8N2O2S — CID 91989718

IUPAC(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)/C1=C\c1ccsc1
InChIInChI=1S/C9H8N2O2S/c1-11-7(8(12)10-9(11)13)4-6-2-3-14-5-6/h2-5H,1H3,(H,10,12,13)/b7-4+
InChIKeyGYWOXNDSEPPXFR-QPJJXVBHSA-N
MW208.24 g/mol
LogP1.27
Rot. Bonds1

About (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 91989718) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID91989718
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)/C1=C\c1ccsc1
InChIInChI=1S/C9H8N2O2S/c1-11-7(8(12)10-9(11)13)4-6-2-3-14-5-6/h2-5H,1H3,(H,10,12,13)/b7-4+
InChIKeyGYWOXNDSEPPXFR-QPJJXVBHSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (CID 91989718) is (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is CN1C(=O)NC(=O)/C1=C\c1ccsc1.
What is the InChIKey of (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is GYWOXNDSEPPXFR-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-11-7(8(12)10-9(11)13)4-6-2-3-14-5-6/h2-5H,1H3,(H,10,12,13)/b7-4+.
What are the key properties of (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
(5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 208.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 91989718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).