(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C15H12N2OS2 — CID 896945

IUPAC(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccs1
InChIInChI=1S/C15H12N2OS2/c1-16-13(10-12-8-5-9-20-12)14(18)17(15(16)19)11-6-3-2-4-7-11/h2-10H,1H3/b13-10+
InChIKeyPABUNKYKOJUJTP-JLHYYAGUSA-N
MW300.41 g/mol
LogP3.35
Rot. Bonds2

About (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 896945) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID896945
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccs1
InChIInChI=1S/C15H12N2OS2/c1-16-13(10-12-8-5-9-20-12)14(18)17(15(16)19)11-6-3-2-4-7-11/h2-10H,1H3/b13-10+
InChIKeyPABUNKYKOJUJTP-JLHYYAGUSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 896945) is (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccs1.
What is the InChIKey of (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is PABUNKYKOJUJTP-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-16-13(10-12-8-5-9-20-12)14(18)17(15(16)19)11-6-3-2-4-7-11/h2-10H,1H3/b13-10+.
What are the key properties of (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 896945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).