(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C9H8N2OS2 — CID 135445605

IUPAC(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESCSC1=N/C(=C/c2cccs2)C(=O)N1
InChIInChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5+
InChIKeyXLBWHIQGWWWOJT-FNORWQNLSA-N
MW224.31 g/mol
LogP1.94
Rot. Bonds1

About (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135445605) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135445605
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESCSC1=N/C(=C/c2cccs2)C(=O)N1
InChIInChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5+
InChIKeyXLBWHIQGWWWOJT-FNORWQNLSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
2-Imino-5-(2-thienylmethylene)-1,3-thiazolidin-4-one
CID 1205039
N-{(2E,5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}acetamide
CID 1227506
2-sec-butylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511205
2-cyclopentylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511206
2-cyclohexylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511207
2-Imino-5-thiophen-2-ylmethylene-thiazolidin-4-one
CID 1205038
2-Imino-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1228616
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 135445605) is (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is CSC1=N/C(=C/c2cccs2)C(=O)N1.
What is the InChIKey of (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is XLBWHIQGWWWOJT-FNORWQNLSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5+.
What are the key properties of (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 224.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135445605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).