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

C13H16N2OS2 — CID 42656703

IUPAC(5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C13H16N2OS2/c1-9(2)8-15-12(16)11(14(3)13(15)17)7-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3/b11-7-
InChIKeyUEYDYPYJVFDJPP-XFFZJAGNSA-N
MW280.42 g/mol
LogP2.80
Rot. Bonds3

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

(5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 42656703) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID42656703
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name(5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C13H16N2OS2/c1-9(2)8-15-12(16)11(14(3)13(15)17)7-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3/b11-7-
InChIKeyUEYDYPYJVFDJPP-XFFZJAGNSA-N
XLogP2.80
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 ≤ 52.80
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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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
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
Methyl [3-methyl-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2190820
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 43004769
1-(2,2-dimethylpropanoyl)-3-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
CID 162656203
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6020297
3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469476

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 42656703) is (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2cccs2)N(C)C1=S.
What is the InChIKey of (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is UEYDYPYJVFDJPP-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9(2)8-15-12(16)11(14(3)13(15)17)7-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3/b11-7-.
What are the key properties of (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 280.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-methyl-3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 42656703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).