(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C11H12N2OS2 — CID 2181114

IUPAC(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C11H12N2OS2/c1-3-13-10(14)9(12(2)11(13)15)7-8-5-4-6-16-8/h4-7H,3H2,1-2H3/b9-7-
InChIKeyKZIGQBWZVVVPPZ-CLFYSBASSA-N
MW252.36 g/mol
LogP2.17
Rot. Bonds2

About (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 2181114) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID2181114
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C11H12N2OS2/c1-3-13-10(14)9(12(2)11(13)15)7-8-5-4-6-16-8/h4-7H,3H2,1-2H3/b9-7-
InChIKeyKZIGQBWZVVVPPZ-CLFYSBASSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.17
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-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 2181114) is (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S.
What is the InChIKey of (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is KZIGQBWZVVVPPZ-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-13-10(14)9(12(2)11(13)15)7-8-5-4-6-16-8/h4-7H,3H2,1-2H3/b9-7-.
What are the key properties of (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-1-methyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 2181114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).