N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione

C72H66N10O19S4 — CID 160634197

IUPACN-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.O=C1CSC(=O)N1.O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1.O=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H21N3O5S.C17H13N3O3S.C11H16N2O2.C11H7NO4S.C8H6O3.C3H3NO2S/c1-22(2,3)30-20(28)24-16-7-5-4-6-15(16)23-18(26)14-10-8-13(9-11-14)12-17-19(27)25-21(29)31-17;18-12-3-1-2-4-13(12)19-15(21)11-7-5-10(6-8-11)9-14-16(22)20-17(23)24-14;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15;9-5-6-1-3-7(4-2-6)8(10)11;5-2-1-7-3(6)4-2/h4-12H,1-3H3,(H,23,26)(H,24,28)(H,25,27,29);1-9H,18H2,(H,19,21)(H,20,22,23);4-7H,12H2,1-3H3,(H,13,14);1-5H,(H,14,15)(H,12,13,16);1-5H,(H,10,11);1H2,(H,4,5,6)/b17-12+;14-9+;;8-5+;;
InChIKeyRIIALUFHLHYFQC-DFLDHWINSA-N
MW1503.64 g/mol
LogP12.95
Rot. Bonds12

About N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione

N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione (PubChem CID 160634197) has the molecular formula C72H66N10O19S4 and a molecular weight of 1503.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione
PubChem CID160634197
Molecular FormulaC72H66N10O19S4
Molecular Weight1503.64 g/mol
Exact Mass1502.34
IUPAC NameN-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.O=C1CSC(=O)N1.O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1.O=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H21N3O5S.C17H13N3O3S.C11H16N2O2.C11H7NO4S.C8H6O3.C3H3NO2S/c1-22(2,3)30-20(28)24-16-7-5-4-6-15(16)23-18(26)14-10-8-13(9-11-14)12-17-19(27)25-21(29)31-17;18-12-3-1-2-4-13(12)19-15(21)11-7-5-10(6-8-11)9-14-16(22)20-17(23)24-14;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15;9-5-6-1-3-7(4-2-6)8(10)11;5-2-1-7-3(6)4-2/h4-12H,1-3H3,(H,23,26)(H,24,28)(H,25,27,29);1-9H,18H2,(H,19,21)(H,20,22,23);4-7H,12H2,1-3H3,(H,13,14);1-5H,(H,14,15)(H,12,13,16);1-5H,(H,10,11);1H2,(H,4,5,6)/b17-12+;14-9+;;8-5+;;
InChIKeyRIIALUFHLHYFQC-DFLDHWINSA-N
XLogP12.95
TPSA463.25 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001503.64
LogP ≤ 512.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione?
The IUPAC name of N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione (CID 160634197) is N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione.
What is the SMILES notation for N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione?
The canonical SMILES for N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione is CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1.O=C1CSC(=O)N1.O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1.O=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione?
The InChIKey is RIIALUFHLHYFQC-DFLDHWINSA-N. The full InChI is InChI=1S/C22H21N3O5S.C17H13N3O3S.C11H16N2O2.C11H7NO4S.C8H6O3.C3H3NO2S/c1-22(2,3)30-20(28)24-16-7-5-4-6-15(16)23-18(26)14-10-8-13(9-11-14)12-17-19(27)25-21(29)31-17;18-12-3-1-2-4-13(12)19-15(21)11-7-5-10(6-8-11)9-14-16(22)20-17(23)24-14;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15;9-5-6-1-3-7(4-2-6)8(10)11;5-2-1-7-3(6)4-2/h4-12H,1-3H3,(H,23,26)(H,24,28)(H,25,27,29);1-9H,18H2,(H,19,21)(H,20,22,23);4-7H,12H2,1-3H3,(H,13,14);1-5H,(H,14,15)(H,12,13,16);1-5H,(H,10,11);1H2,(H,4,5,6)/b17-12+;14-9+;;8-5+;;.
What are the key properties of N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione?
N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione has a molecular weight of 1503.64 g/mol, XLogP of 12.95, 12 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]phenyl]carbamate;4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid;4-formylbenzoic acid;1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160634197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).