N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C50H41F3N12O2S2 — CID 123645591

IUPACN-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.Cc1nc2c(C(F)(F)F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C25H19F3N6OS.C25H22N6OS/c1-14-21(34-12-4-5-17(22(34)30-14)25(26,27)28)20-13-36-24(33-20)31-16-10-8-15(9-11-16)23(35)32-19-7-3-2-6-18(19)29;1-15-11-12-31-22(13-15)27-16(2)23(31)21-14-33-25(30-21)28-18-9-7-17(8-10-18)24(32)29-20-6-4-3-5-19(20)26/h2-13H,29H2,1H3,(H,31,33)(H,32,35);3-14H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyQZIOOZOINGIIAE-UHFFFAOYSA-N
MW963.09 g/mol
LogP12.02
Rot. Bonds10

About N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 123645591) has the molecular formula C50H41F3N12O2S2 and a molecular weight of 963.09 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID123645591
Molecular FormulaC50H41F3N12O2S2
Molecular Weight963.09 g/mol
Exact Mass962.29
IUPAC NameN-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.Cc1nc2c(C(F)(F)F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C25H19F3N6OS.C25H22N6OS/c1-14-21(34-12-4-5-17(22(34)30-14)25(26,27)28)20-13-36-24(33-20)31-16-10-8-15(9-11-16)23(35)32-19-7-3-2-6-18(19)29;1-15-11-12-31-22(13-15)27-16(2)23(31)21-14-33-25(30-21)28-18-9-7-17(8-10-18)24(32)29-20-6-4-3-5-19(20)26/h2-13H,29H2,1H3,(H,31,33)(H,32,35);3-14H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyQZIOOZOINGIIAE-UHFFFAOYSA-N
XLogP12.02
TPSA194.68 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500963.09
LogP ≤ 512.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide with MolForge

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Related Compounds

1-[(2R)-4-[4-(6-acetyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725963
1-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazole-5-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 24871976
N-(2-aminophenyl)-4-[[4-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25151035
2-fluoro-N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 25151600
N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 25151788
N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25151789
N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25153415
N-hydroxy-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25153630
N-(2-amino-6-fluorophenyl)-4-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25153843
N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25153844
N-(2-aminophenyl)-4-[1-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
CID 44623355
1-[4-[[4-(6-Fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 57490449

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 123645591) is N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.Cc1nc2c(C(F)(F)F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is QZIOOZOINGIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6OS.C25H22N6OS/c1-14-21(34-12-4-5-17(22(34)30-14)25(26,27)28)20-13-36-24(33-20)31-16-10-8-15(9-11-16)23(35)32-19-7-3-2-6-18(19)29;1-15-11-12-31-22(13-15)27-16(2)23(31)21-14-33-25(30-21)28-18-9-7-17(8-10-18)24(32)29-20-6-4-3-5-19(20)26/h2-13H,29H2,1H3,(H,31,33)(H,32,35);3-14H,26H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 963.09 g/mol, XLogP of 12.02, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 123645591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).