N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide

C46H37F6N11O3S2 — CID 160754123

About N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide

N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide (PubChem CID 160754123) has the molecular formula C46H37F6N11O3S2 and a molecular weight of 970.00 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide
• PubChem CID: 160754123
• Molecular Formula: C46H37F6N11O3S2
• Molecular Weight: 970.00 g/mol
• Exact Mass: 969.24
• IUPAC Name: N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide
• SMILES: Cc1nc2ccccn2c1-c1csc(N(CC(F)(F)F)c2ccc(C(=O)NO)cc2)n1.Cc1nc2ccccn2c1-c1csc(N(CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3N)cc2)n1
• InChI: InChI=1S/C26H21F3N6OS.C20H16F3N5O2S/c1-16-23(34-13-5-4-8-22(34)31-16)21-14-37-25(33-21)35(15-26(27,28)29)18-11-9-17(10-12-18)24(36)32-20-7-3-2-6-19(20)30;1-12-17(27-9-3-2-4-16(27)24-12)15-10-31-19(25-15)28(11-20(21,22)23)14-7-5-13(6-8-14)18(29)26-30/h2-14H,15,30H2,1H3,(H,32,36);2-10,30H,11H2,1H3,(H,26,29)
• InChIKey: RXEZDADFSNCPQI-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 171.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.00
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide (CID 160754123) is N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide is Cc1nc2ccccn2c1-c1csc(N(CC(F)(F)F)c2ccc(C(=O)NO)cc2)n1.Cc1nc2ccccn2c1-c1csc(N(CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3N)cc2)n1.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide?

The InChIKey is RXEZDADFSNCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6OS.C20H16F3N5O2S/c1-16-23(34-13-5-4-8-22(34)31-16)21-14-37-25(33-21)35(15-26(27,28)29)18-11-9-17(10-12-18)24(36)32-20-7-3-2-6-19(20)30;1-12-17(27-9-3-2-4-16(27)24-12)15-10-31-19(25-15)28(11-20(21,22)23)14-7-5-13(6-8-14)18(29)26-30/h2-14H,15,30H2,1H3,(H,32,36);2-10,30H,11H2,1H3,(H,26,29).

What are the key properties of N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide?

N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide has a molecular weight of 970.00 g/mol, XLogP of 10.89, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide is sourced from PubChem (CID 160754123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).