(5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one

C120H106N14O18S11 — CID 123225770

About (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one

(5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one (PubChem CID 123225770) has the molecular formula C120H106N14O18S11 and a molecular weight of 2384.98 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

• Compound Name: (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one
• PubChem CID: 123225770
• Molecular Formula: C120H106N14O18S11
• Molecular Weight: 2384.98 g/mol
• Exact Mass: 2382.47
• IUPAC Name: (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one
• SMILES: C=COON1C(=O)/C(=C\c2ccc(N(C)C)c3ccccc23)SC1=S.C=COON1C(=O)/C(=C\c2ccc(N(C)c3ccc(OC)cc3)cc2)SC1=S.C=COON1C(=O)/C(=C\c2ccc(N(C)c3ccc(OC)cc3)cc2)SC1=S.C=COON1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S.C=COON1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S.O=C1NC(=S)C/C1=C/c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1
• InChI: InChI=1S/C22H22N4OS.2C20H18N2O4S2.2C20H16N2O3S2.C18H16N2O3S2/c27-22-17(15-21(28)23-22)14-16-4-6-18(7-5-16)24-25-19-8-10-20(11-9-19)26-12-2-1-3-13-26;2*1-4-25-26-22-19(23)18(28-20(22)27)13-14-5-7-15(8-6-14)21(2)16-9-11-17(24-3)12-10-16;2*1-3-21-16-8-6-5-7-14(16)15-11-13(9-10-17(15)21)12-18-19(23)22(20(26)27-18)25-24-4-2;1-4-22-23-20-17(21)16(25-18(20)24)11-12-9-10-15(19(2)3)14-8-6-5-7-13(12)14/h4-11,14H,1-3,12-13,15H2,(H,23,27,28);2*4-13H,1H2,2-3H3;2*4-12H,2-3H2,1H3;4-11H,1H2,2-3H3/b17-14-,25-24+;2*18-13+;2*18-12+;16-11+
• InChIKey: NYBDTBAAJYNDSP-ZRRWJGPKSA-N
• XLogP: 28.82
• TPSA: 288.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.98
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one?

The IUPAC name of (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one (CID 123225770) is (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one.

What is the SMILES notation for (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one?

The canonical SMILES for (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one is C=COON1C(=O)/C(=C\c2ccc(N(C)C)c3ccccc23)SC1=S.C=COON1C(=O)/C(=C\c2ccc(N(C)c3ccc(OC)cc3)cc2)SC1=S.C=COON1C(=O)/C(=C\c2ccc(N(C)c3ccc(OC)cc3)cc2)SC1=S.C=COON1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S.C=COON1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S.O=C1NC(=S)C/C1=C/c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1.

What is the InChIKey of (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one?

The InChIKey is NYBDTBAAJYNDSP-ZRRWJGPKSA-N. The full InChI is InChI=1S/C22H22N4OS.2C20H18N2O4S2.2C20H16N2O3S2.C18H16N2O3S2/c27-22-17(15-21(28)23-22)14-16-4-6-18(7-5-16)24-25-19-8-10-20(11-9-19)26-12-2-1-3-13-26;2*1-4-25-26-22-19(23)18(28-20(22)27)13-14-5-7-15(8-6-14)21(2)16-9-11-17(24-3)12-10-16;2*1-3-21-16-8-6-5-7-14(16)15-11-13(9-10-17(15)21)12-18-19(23)22(20(26)27-18)25-24-4-2;1-4-22-23-20-17(21)16(25-18(20)24)11-12-9-10-15(19(2)3)14-8-6-5-7-13(12)14/h4-11,14H,1-3,12-13,15H2,(H,23,27,28);2*4-13H,1H2,2-3H3;2*4-12H,2-3H2,1H3;4-11H,1H2,2-3H3/b17-14-,25-24+;2*18-13+;2*18-12+;16-11+.

What are the key properties of (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one?

(5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 2384.98 g/mol, XLogP of 28.82, 33 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-3-ethenylperoxy-2-sulfanylidene-1,3-thiazolidin-4-one;bis((5E)-3-ethenylperoxy-5-[(9-ethylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);bis((5E)-3-ethenylperoxy-5-[[4-(4-methoxy-N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(3Z)-3-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]methylidene]-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 123225770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).