N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one

C126H104N32O6S6 — CID 159959702

IUPACN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)c(C)s2)cc1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Cc1sc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc1-c1cnc2ccccn12.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/C24H20N6OS.2C23H18N6OS.C19H17N5OS.C19H16N4OS.C18H15N5OS/c1-15-22(20-14-26-21-8-4-5-13-30(20)21)29-24(32-15)27-17-11-9-16(10-12-17)23(31)28-19-7-3-2-6-18(19)25;2*24-17-5-1-2-6-18(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;1-12-17(15-11-21-16-5-3-4-10-24(15)16)23-19(26-12)22-14-8-6-13(7-9-14)18(25)20-2;1-2-17(24)13-6-5-7-14(10-13)21-19-22-15(12-25-19)16-11-20-18-8-3-4-9-23(16)18;1-19-17(24)12-5-7-13(8-6-12)21-18-22-14(11-25-18)15-10-20-16-4-2-3-9-23(15)16/h2-14H,25H2,1H3,(H,27,29)(H,28,31);2*1-14H,24H2,(H,26,28)(H,27,30);3-11H,1-2H3,(H,20,25)(H,22,23);3-12H,2H2,1H3,(H,21,22);2-11H,1H3,(H,19,24)(H,21,22)
InChIKeyODEBWGGFUSMPPZ-UHFFFAOYSA-N
MW2354.84 g/mol
LogP27.64
Rot. Bonds28

About N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one

N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one (PubChem CID 159959702) has the molecular formula C126H104N32O6S6 and a molecular weight of 2354.84 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one
PubChem CID159959702
Molecular FormulaC126H104N32O6S6
Molecular Weight2354.84 g/mol
Exact Mass2352.71
IUPAC NameN-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)c(C)s2)cc1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Cc1sc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc1-c1cnc2ccccn12.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/C24H20N6OS.2C23H18N6OS.C19H17N5OS.C19H16N4OS.C18H15N5OS/c1-15-22(20-14-26-21-8-4-5-13-30(20)21)29-24(32-15)27-17-11-9-16(10-12-17)23(31)28-19-7-3-2-6-18(19)25;2*24-17-5-1-2-6-18(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;1-12-17(15-11-21-16-5-3-4-10-24(15)16)23-19(26-12)22-14-8-6-13(7-9-14)18(25)20-2;1-2-17(24)13-6-5-7-14(10-13)21-19-22-15(12-25-19)16-11-20-18-8-3-4-9-23(16)18;1-19-17(24)12-5-7-13(8-6-12)21-18-22-14(11-25-18)15-10-20-16-4-2-3-9-23(15)16/h2-14H,25H2,1H3,(H,27,29)(H,28,31);2*1-14H,24H2,(H,26,28)(H,27,30);3-11H,1-2H3,(H,20,25)(H,22,23);3-12H,2H2,1H3,(H,21,22);2-11H,1H3,(H,19,24)(H,21,22)
InChIKeyODEBWGGFUSMPPZ-UHFFFAOYSA-N
XLogP27.64
TPSA493.95 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.84
LogP ≤ 527.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one 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-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one?
The IUPAC name of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one (CID 159959702) is N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one is CCC(=O)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)c(C)s2)cc1.CNC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Cc1sc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc1-c1cnc2ccccn12.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one?
The InChIKey is ODEBWGGFUSMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS.2C23H18N6OS.C19H17N5OS.C19H16N4OS.C18H15N5OS/c1-15-22(20-14-26-21-8-4-5-13-30(20)21)29-24(32-15)27-17-11-9-16(10-12-17)23(31)28-19-7-3-2-6-18(19)25;2*24-17-5-1-2-6-18(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;1-12-17(15-11-21-16-5-3-4-10-24(15)16)23-19(26-12)22-14-8-6-13(7-9-14)18(25)20-2;1-2-17(24)13-6-5-7-14(10-13)21-19-22-15(12-25-19)16-11-20-18-8-3-4-9-23(16)18;1-19-17(24)12-5-7-13(8-6-12)21-18-22-14(11-25-18)15-10-20-16-4-2-3-9-23(15)16/h2-14H,25H2,1H3,(H,27,29)(H,28,31);2*1-14H,24H2,(H,26,28)(H,27,30);3-11H,1-2H3,(H,20,25)(H,22,23);3-12H,2H2,1H3,(H,21,22);2-11H,1H3,(H,19,24)(H,21,22).
What are the key properties of N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one?
N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one has a molecular weight of 2354.84 g/mol, XLogP of 27.64, 28 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one is sourced from PubChem (CID 159959702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).