(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one

C15H12N2OS2 — CID 9341911

IUPAC(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C\c3ccsc3)NC2=S)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-12(5-3-10)17-14(18)13(16-15(17)19)8-11-6-7-20-9-11/h2-9H,1H3,(H,16,19)/b13-8+
InChIKeyMOFBZFSJUFSWFY-MDWZMJQESA-N
MW300.41 g/mol
LogP3.32
Rot. Bonds2

About (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one

(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one (PubChem CID 9341911) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
PubChem CID9341911
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C\c3ccsc3)NC2=S)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-12(5-3-10)17-14(18)13(16-15(17)19)8-11-6-7-20-9-11/h2-9H,1H3,(H,16,19)/b13-8+
InChIKeyMOFBZFSJUFSWFY-MDWZMJQESA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2344016
3-(4-Ethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062129
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
3-(3,4-Dimethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535713
(5E)-3-phenyl-5-(thien-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16188811
(E)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1613195
(5E)-3-phenyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 1815138
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
N-(4-ethylphenyl)-N'-thien-2-ylurea
CID 3245074
3-(3,5-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4046918
3-(3,4-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062130
3-(3-Methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062304

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one (CID 9341911) is (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is Cc1ccc(N2C(=O)/C(=C\c3ccsc3)NC2=S)cc1.
What is the InChIKey of (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The InChIKey is MOFBZFSJUFSWFY-MDWZMJQESA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-10-2-4-12(5-3-10)17-14(18)13(16-15(17)19)8-11-6-7-20-9-11/h2-9H,1H3,(H,16,19)/b13-8+.
What are the key properties of (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 9341911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).