(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one

C10H8N2OS2 — CID 6372477

IUPAC(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\C=C\c1cccs1
InChIInChI=1S/C10H8N2OS2/c13-9-8(11-10(14)12-9)5-1-3-7-4-2-6-15-7/h1-6H,(H2,11,12,13,14)/b3-1+,8-5-
InChIKeyYIHJBZHRLIWTTP-ZWGQKFFPSA-N
MW236.32 g/mol
LogP1.65
Rot. Bonds2

About (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one

(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one (PubChem CID 6372477) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one
PubChem CID6372477
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\C=C\c1cccs1
InChIInChI=1S/C10H8N2OS2/c13-9-8(11-10(14)12-9)5-1-3-7-4-2-6-15-7/h1-6H,(H2,11,12,13,14)/b3-1+,8-5-
InChIKeyYIHJBZHRLIWTTP-ZWGQKFFPSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1277565
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1813162
5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone
CID 5468923
(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 14058927

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one (CID 6372477) is (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one is O=C1NC(=S)N/C1=C\C=C\c1cccs1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one?
The InChIKey is YIHJBZHRLIWTTP-ZWGQKFFPSA-N. The full InChI is InChI=1S/C10H8N2OS2/c13-9-8(11-10(14)12-9)5-1-3-7-4-2-6-15-7/h1-6H,(H2,11,12,13,14)/b3-1+,8-5-.
What are the key properties of (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one?
(5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]imidazolidin-4-one is sourced from PubChem (CID 6372477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).