(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one

C13H16N2OS2 — CID 6020297

IUPAC(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(CC)s2)NC1=S
InChIInChI=1S/C13H16N2OS2/c1-3-7-15-12(16)11(14-13(15)17)8-10-6-5-9(4-2)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)/b11-8-
InChIKeyXCUUDHADLXAACY-FLIBITNWSA-N
MW280.42 g/mol
LogP2.78
Rot. Bonds4

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

(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 6020297) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
PubChem CID6020297
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(CC)s2)NC1=S
InChIInChI=1S/C13H16N2OS2/c1-3-7-15-12(16)11(14-13(15)17)8-10-6-5-9(4-2)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)/b11-8-
InChIKeyXCUUDHADLXAACY-FLIBITNWSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
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
Methyl {5-[(5-ethyl-2-thienyl)methylene]-3-methyl-4-oxo-2-thioxo-1-imidazolidinyl}acetate
CID 753448
3-Ethyl-5-[(5-ethylthien-2-yl)methylene]-1-methyl-2-thioxoimidazolidin-4-one
CID 900275
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
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
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
CID 56950035
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 5468930
5-(2-Thenylidene)-2-thioxoimidazolidin-4-one
CID 710212
3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469476

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one (CID 6020297) is (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one is CCCN1C(=O)/C(=C/c2ccc(CC)s2)NC1=S.
What is the InChIKey of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XCUUDHADLXAACY-FLIBITNWSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-3-7-15-12(16)11(14-13(15)17)8-10-6-5-9(4-2)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)/b11-8-.
What are the key properties of (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 280.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6020297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).