(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C16H18N2O3S — CID 6523672

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccccc1/C=C1\NC(=S)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H18N2O3S/c1-20-14-7-3-2-5-11(14)9-13-15(19)18(16(22)17-13)10-12-6-4-8-21-12/h2-3,5,7,9,12H,4,6,8,10H2,1H3,(H,17,22)/b13-9-
InChIKeyGYPCODDYZJFILL-LCYFTJDESA-N
MW318.40 g/mol
LogP1.93
Rot. Bonds4

About (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 6523672) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID6523672
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccccc1/C=C1\NC(=S)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H18N2O3S/c1-20-14-7-3-2-5-11(14)9-13-15(19)18(16(22)17-13)10-12-6-4-8-21-12/h2-3,5,7,9,12H,4,6,8,10H2,1H3,(H,17,22)/b13-9-
InChIKeyGYPCODDYZJFILL-LCYFTJDESA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.93
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'}

Analyze (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one with MolForge

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Related Compounds

methyl 2-[(4E)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5790432
5-[2-(Benzyloxy)benzylidene]-3-methyl-2-thioxo-4-imidazolidinone
CID 5415536
5-(2,4-Dimethoxybenzylidene)-1-methyl-3-(tetrahydro-2-furanylmethyl)-2-thioxo-4-imidazolidinone
CID 6159620
(E)-3-(4-methoxyphenyl)-N-(((tetrahydrofuran-2-yl)methyl)carbamothioyl)acrylamide
CID 6276161
5-(2,4-Dimethoxy-3-methylbenzylidene)-3-(tetrahydro-2-furanylmethyl)-2-thioxo-4-imidazolidinone
CID 6516024
5-(2,4-Dimethoxybenzylidene)-3-(tetrahydro-2-furanylmethyl)-2-thioxo-4-imidazolidinone
CID 6529568
(E)-3-(2-methoxyphenyl)-N-(((tetrahydrofuran-2-yl)methyl)carbamothioyl)acrylamide
CID 5983342
5-(4-Methoxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone
CID 5369167
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 53500467
3-Allyl-5-(4-methoxybenzylidene)-2-thioxo-4-imidazolidinone
CID 1041244
5-(4-Methoxybenzylidene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone
CID 5469468
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 4002588

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 6523672) is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one is COc1ccccc1/C=C1\NC(=S)N(CC2CCCO2)C1=O.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GYPCODDYZJFILL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-14-7-3-2-5-11(14)9-13-15(19)18(16(22)17-13)10-12-6-4-8-21-12/h2-3,5,7,9,12H,4,6,8,10H2,1H3,(H,17,22)/b13-9-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 318.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6523672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).