N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid

C121H100BrClN34O13S6 — CID 160710096

IUPACN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCC(=O)c1cnc2ccccn12.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(CBr)c1cnc2ccccn12.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.[H]/N=N/N=NCl
InChIInChI=1S/C23H18N6OS.C19H16N4O2S.2C17H13N5O2S.C17H12N4O2S.C10H12N2O2S.C9H7BrN2O.C9H8N2O.ClHN4/c24-17-5-1-2-6-18(17)27-22(30)15-8-10-16(11-9-15)26-23-28-19(14-31-23)20-13-25-21-7-3-4-12-29(20)21;1-2-25-18(24)13-6-8-14(9-7-13)21-19-22-15(12-26-19)16-11-20-17-5-3-4-10-23(16)17;2*23-16(21-24)11-4-6-12(7-5-11)19-17-20-13(10-25-17)14-9-18-15-3-1-2-8-22(14)15;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-7(12)8-6-10-9-4-2-3-5-11(8)9;1-3-5-4-2/h1-14H,24H2,(H,26,28)(H,27,30);3-12H,2H2,1H3,(H,21,22);2*1-10,24H,(H,19,20)(H,21,23);1-10H,(H,19,20)(H,22,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;2-6H,1H3;2H/b;;;;;;;;4-2+,5-3?
InChIKeyRRSYTIKKSKSNHI-NVAGYICWSA-N
MW2546.11 g/mol
LogP26.46
Rot. Bonds29

About N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid

N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 160710096) has the molecular formula C121H100BrClN34O13S6 and a molecular weight of 2546.11 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID160710096
Molecular FormulaC121H100BrClN34O13S6
Molecular Weight2546.11 g/mol
Exact Mass2542.54
IUPAC NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCC(=O)c1cnc2ccccn12.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(CBr)c1cnc2ccccn12.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.[H]/N=N/N=NCl
InChIInChI=1S/C23H18N6OS.C19H16N4O2S.2C17H13N5O2S.C17H12N4O2S.C10H12N2O2S.C9H7BrN2O.C9H8N2O.ClHN4/c24-17-5-1-2-6-18(17)27-22(30)15-8-10-16(11-9-15)26-23-28-19(14-31-23)20-13-25-21-7-3-4-12-29(20)21;1-2-25-18(24)13-6-8-14(9-7-13)21-19-22-15(12-26-19)16-11-20-17-5-3-4-10-23(16)17;2*23-16(21-24)11-4-6-12(7-5-11)19-17-20-13(10-25-17)14-9-18-15-3-1-2-8-22(14)15;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-7(12)8-6-10-9-4-2-3-5-11(8)9;1-3-5-4-2/h1-14H,24H2,(H,26,28)(H,27,30);3-12H,2H2,1H3,(H,21,22);2*1-10,24H,(H,19,20)(H,21,23);1-10H,(H,19,20)(H,22,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;2-6H,1H3;2H/b;;;;;;;;4-2+,5-3?
InChIKeyRRSYTIKKSKSNHI-NVAGYICWSA-N
XLogP26.46
TPSA622.50 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.11
LogP ≤ 526.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid (CID 160710096) is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid is CC(=O)c1cnc2ccccn12.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(CBr)c1cnc2ccccn12.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.[H]/N=N/N=NCl.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is RRSYTIKKSKSNHI-NVAGYICWSA-N. The full InChI is InChI=1S/C23H18N6OS.C19H16N4O2S.2C17H13N5O2S.C17H12N4O2S.C10H12N2O2S.C9H7BrN2O.C9H8N2O.ClHN4/c24-17-5-1-2-6-18(17)27-22(30)15-8-10-16(11-9-15)26-23-28-19(14-31-23)20-13-25-21-7-3-4-12-29(20)21;1-2-25-18(24)13-6-8-14(9-7-13)21-19-22-15(12-26-19)16-11-20-17-5-3-4-10-23(16)17;2*23-16(21-24)11-4-6-12(7-5-11)19-17-20-13(10-25-17)14-9-18-15-3-1-2-8-22(14)15;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;10-5-8(13)7-6-11-9-3-1-2-4-12(7)9;1-7(12)8-6-10-9-4-2-3-5-11(8)9;1-3-5-4-2/h1-14H,24H2,(H,26,28)(H,27,30);3-12H,2H2,1H3,(H,21,22);2*1-10,24H,(H,19,20)(H,21,23);1-10H,(H,19,20)(H,22,23);3-6H,2H2,1H3,(H3,11,12,15);1-4,6H,5H2;2-6H,1H3;2H/b;;;;;;;;4-2+,5-3?.
What are the key properties of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 2546.11 g/mol, XLogP of 26.46, 29 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;2-bromo-1-imidazo[1,2-a]pyridin-3-ylethanone;chloro(diazenyl)diazene;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoate;bis(N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);1-imidazo[1,2-a]pyridin-3-ylethanone;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 160710096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).