(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C15H12N2O2S2 — CID 5455628

IUPAC(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccs3)NC2=S)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)17-14(18)13(16-15(17)20)9-12-3-2-8-21-12/h2-9H,1H3,(H,16,20)/b13-9-
InChIKeyOVQGUZGGWJZSBV-LCYFTJDESA-N
MW316.41 g/mol
LogP3.02
Rot. Bonds3

About (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 5455628) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID5455628
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccs3)NC2=S)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)17-14(18)13(16-15(17)20)9-12-3-2-8-21-12/h2-9H,1H3,(H,16,20)/b13-9-
InChIKeyOVQGUZGGWJZSBV-LCYFTJDESA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598535
(5E)-3-(3-methoxyphenyl)-5-(thien-2-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16195589
1-(4-Methoxyphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 738881
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
N-(4-Methoxyphenyl)-N'-[3-(2-thienyl)acryloyl]thiourea
CID 836121
Methyl [3-(4-ethoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2185984
Methyl [3-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2187911
(5Z)-1-(4-ethoxyphenyl)-5-(thien-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 2226076
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752
N-(4-methoxyphenyl)-2-[5-oxo-3-(propan-2-yl)-1-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetamide
CID 2982336
3-(4-Methoxyphenyl)-2-(thiophen-2-yl)-1,3-thiazolidin-4-one
CID 3729446
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetamide
CID 3773843

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 5455628) is (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is COc1ccc(N2C(=O)/C(=C/c3cccs3)NC2=S)cc1.
What is the InChIKey of (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is OVQGUZGGWJZSBV-LCYFTJDESA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)17-14(18)13(16-15(17)20)9-12-3-2-8-21-12/h2-9H,1H3,(H,16,20)/b13-9-.
What are the key properties of (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 316.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 5455628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).