(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione

C88H109N15O18S6 — CID 159308098

About (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione

(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione (PubChem CID 159308098) has the molecular formula C88H109N15O18S6 and a molecular weight of 1857.33 g/mol. Its IUPAC name is (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione.

Molecular Properties

• Compound Name: (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione
• PubChem CID: 159308098
• Molecular Formula: C88H109N15O18S6
• Molecular Weight: 1857.33 g/mol
• Exact Mass: 1855.64
• IUPAC Name: (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione
• SMILES: CCOC(=O)CN1C(=O)/C(=C\C=C2/CCCN2C)SC1=S.CCOC(=O)CN1C(=O)/C(=C\C=C2/OCCN2C)SC1=S.CN1C(=O)/C(=C\C=C2/CCCN2C)N(C)C1=S.CN1C(=O)/C(=C\C=C2/OCCN2C)N(C)C1=O.CN1C(=O)/C(=C\C=C2/OCCN2C)N(C)C1=S.CN1CCC/C1=C\C=C1C(=O)c2ccccc2C1=O.CN1CCC/C1=C\C=C1\OC(=O)CC1=O
• InChI: InChI=1S/C16H15NO2.C14H18N2O3S2.C13H16N2O4S2.C12H17N3OS.C11H15N3O3.C11H15N3O2S.C11H13NO3/c1-17-10-4-5-11(17)8-9-14-15(18)12-6-2-3-7-13(12)16(14)19;1-3-19-12(17)9-16-13(18)11(21-14(16)20)7-6-10-5-4-8-15(10)2;1-3-18-11(16)8-15-12(17)9(21-13(15)20)4-5-10-14(2)6-7-19-10;1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2;1-12-6-7-17-9(12)5-4-8-10(15)14(3)11(16)13(8)2;1-12-6-7-16-9(12)5-4-8-10(15)14(3)11(17)13(8)2;1-12-6-2-3-8(12)4-5-10-9(13)7-11(14)15-10/h2-3,6-9H,4-5,10H2,1H3;6-7H,3-5,8-9H2,1-2H3;4-5H,3,6-8H2,1-2H3;6-7H,4-5,8H2,1-3H3;2*4-5H,6-7H2,1-3H3;4-5H,2-3,6-7H2,1H3/b11-8+;10-6+,11-7+;9-4+,10-5-;9-6+,10-7+;2*8-4+,9-5-;8-4+,10-5+
• InChIKey: LCEHRGOTENUCEZ-VTIXMABSSA-N
• XLogP: 8.33
• TPSA: 308.82 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.33
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione?

The IUPAC name of (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione (CID 159308098) is (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione.

What is the SMILES notation for (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione?

The canonical SMILES for (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione is CCOC(=O)CN1C(=O)/C(=C\C=C2/CCCN2C)SC1=S.CCOC(=O)CN1C(=O)/C(=C\C=C2/OCCN2C)SC1=S.CN1C(=O)/C(=C\C=C2/CCCN2C)N(C)C1=S.CN1C(=O)/C(=C\C=C2/OCCN2C)N(C)C1=O.CN1C(=O)/C(=C\C=C2/OCCN2C)N(C)C1=S.CN1CCC/C1=C\C=C1C(=O)c2ccccc2C1=O.CN1CCC/C1=C\C=C1\OC(=O)CC1=O.

What is the InChIKey of (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione?

The InChIKey is LCEHRGOTENUCEZ-VTIXMABSSA-N. The full InChI is InChI=1S/C16H15NO2.C14H18N2O3S2.C13H16N2O4S2.C12H17N3OS.C11H15N3O3.C11H15N3O2S.C11H13NO3/c1-17-10-4-5-11(17)8-9-14-15(18)12-6-2-3-7-13(12)16(14)19;1-3-19-12(17)9-16-13(18)11(21-14(16)20)7-6-10-5-4-8-15(10)2;1-3-18-11(16)8-15-12(17)9(21-13(15)20)4-5-10-14(2)6-7-19-10;1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2;1-12-6-7-17-9(12)5-4-8-10(15)14(3)11(16)13(8)2;1-12-6-7-16-9(12)5-4-8-10(15)14(3)11(17)13(8)2;1-12-6-2-3-8(12)4-5-10-9(13)7-11(14)15-10/h2-3,6-9H,4-5,10H2,1H3;6-7H,3-5,8-9H2,1-2H3;4-5H,3,6-8H2,1-2H3;6-7H,4-5,8H2,1-3H3;2*4-5H,6-7H2,1-3H3;4-5H,2-3,6-7H2,1H3/b11-8+;10-6+,11-7+;9-4+,10-5-;9-6+,10-7+;2*8-4+,9-5-;8-4+,10-5+.

What are the key properties of (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione?

(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione has a molecular weight of 1857.33 g/mol, XLogP of 8.33, 13 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]imidazolidine-2,4-dione;(5E)-1,3-dimethyl-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one;ethyl 2-[(5E)-5-[(2Z)-2-(3-methyl-1,3-oxazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;ethyl 2-[(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate;2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]indene-1,3-dione;(5E)-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]oxolane-2,4-dione is sourced from PubChem (CID 159308098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).