(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

C17H16N2OS2 — CID 887738

IUPAC(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1
InChIInChI=1S/C17H16N2OS2/c1-3-13-9-10-14(22-13)11-15-16(20)19(17(21)18(15)2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b15-11-
InChIKeyURJVLKODQWMDMG-PTNGSMBKSA-N
MW328.46 g/mol
LogP3.91
Rot. Bonds3

About (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 887738) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID887738
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1
InChIInChI=1S/C17H16N2OS2/c1-3-13-9-10-14(22-13)11-15-16(20)19(17(21)18(15)2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b15-11-
InChIKeyURJVLKODQWMDMG-PTNGSMBKSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.91
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 (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 887738) is (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1.
What is the InChIKey of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is URJVLKODQWMDMG-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-3-13-9-10-14(22-13)11-15-16(20)19(17(21)18(15)2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b15-11-.
What are the key properties of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 887738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).