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

C13H16N2OS2 — CID 900275

IUPAC(5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)s1
InChIInChI=1S/C13H16N2OS2/c1-4-9-6-7-10(18-9)8-11-12(16)15(5-2)13(17)14(11)3/h6-8H,4-5H2,1-3H3/b11-8-
InChIKeyGXKRWWDIAALYNI-FLIBITNWSA-N
MW280.42 g/mol
LogP2.73
Rot. Bonds3

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

(5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 900275) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID900275
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name(5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)s1
InChIInChI=1S/C13H16N2OS2/c1-4-9-6-7-10(18-9)8-11-12(16)15(5-2)13(17)14(11)3/h6-8H,4-5H2,1-3H3/b11-8-
InChIKeyGXKRWWDIAALYNI-FLIBITNWSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.73
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)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 900275) is (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one is CCc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)s1.
What is the InChIKey of (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GXKRWWDIAALYNI-FLIBITNWSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-4-9-6-7-10(18-9)8-11-12(16)15(5-2)13(17)14(11)3/h6-8H,4-5H2,1-3H3/b11-8-.
What are the key properties of (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 280.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 900275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).