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;methane

C47H41F6N11O3S2 — CID 157302907

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;methane

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;methane (PubChem CID 157302907) has the molecular formula C47H41F6N11O3S2 and a molecular weight of 986.04 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;methane.

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;methane
• PubChem CID: 157302907
• Molecular Formula: C47H41F6N11O3S2
• Molecular Weight: 986.04 g/mol
• Exact Mass: 985.27
• 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;methane
• SMILES: C.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.CH4/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);1H4
• InChIKey: BCCNQHLANDHPQN-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 171.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.04
LogP ≤ 5	11.52
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;methane?

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;methane (CID 157302907) 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;methane.

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;methane?

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;methane is C.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;methane?

The InChIKey is BCCNQHLANDHPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6OS.C20H16F3N5O2S.CH4/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);1H4.

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;methane?

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;methane has a molecular weight of 986.04 g/mol, XLogP of 11.52, 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;methane is sourced from PubChem (CID 157302907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).