2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide

C111H115ClF12N18O21S7 — CID 173062329

About 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide

2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 173062329) has the molecular formula C111H115ClF12N18O21S7 and a molecular weight of 2525.14 g/mol. Its IUPAC name is 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 173062329
• Molecular Formula: C111H115ClF12N18O21S7
• Molecular Weight: 2525.14 g/mol
• Exact Mass: 2522.60
• IUPAC Name: 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: CC(C)(C)CC(C)(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.CC(C)C(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.COc1ccccc1CNC(=O)c1csc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)n1.CSCCNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.NC(=O)c1cscn1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NC2CCCc3ccccc32)cs1
• InChI: InChI=1S/C25H21ClN4O4S.C24H22F3N3O4S.C22H28F3N3O4S.C19H22F3N3O4S.C17H18F3N3O4S2.C4H4N2OS/c1-33-21-7-3-2-5-16(21)13-28-24(32)20-15-35-22(30-20)14-29-23(31)19-6-4-12-27-25(19)34-18-10-8-17(26)9-11-18;25-24(26,27)34-17-10-8-16(9-11-17)33-13-21(31)28-12-22-29-20(14-35-22)23(32)30-19-7-3-5-15-4-1-2-6-18(15)19;1-20(2,3)13-21(4,5)28-19(30)16-12-33-18(27-16)10-26-17(29)11-31-14-6-8-15(9-7-14)32-22(23,24)25;1-11(2)12(3)24-18(27)15-10-30-17(25-15)8-23-16(26)9-28-13-4-6-14(7-5-13)29-19(20,21)22;1-28-7-6-21-16(25)13-10-29-15(23-13)8-22-14(24)9-26-11-2-4-12(5-3-11)27-17(18,19)20;5-4(7)3-1-8-2-6-3/h2-12,15H,13-14H2,1H3,(H,28,32)(H,29,31);1-2,4,6,8-11,14,19H,3,5,7,12-13H2,(H,28,31)(H,30,32);6-9,12H,10-11,13H2,1-5H3,(H,26,29)(H,28,30);4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27);2-5,10H,6-9H2,1H3,(H,21,25)(H,22,24);1-2H,(H2,5,7)
• InChIKey: DQDRYWWNWQPZCR-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 516.62 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2525.14
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide (CID 173062329) is 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.CC(C)C(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.COc1ccccc1CNC(=O)c1csc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)n1.CSCCNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.NC(=O)c1cscn1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NC2CCCc3ccccc32)cs1.

What is the InChIKey of 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is DQDRYWWNWQPZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4S.C24H22F3N3O4S.C22H28F3N3O4S.C19H22F3N3O4S.C17H18F3N3O4S2.C4H4N2OS/c1-33-21-7-3-2-5-16(21)13-28-24(32)20-15-35-22(30-20)14-29-23(31)19-6-4-12-27-25(19)34-18-10-8-17(26)9-11-18;25-24(26,27)34-17-10-8-16(9-11-17)33-13-21(31)28-12-22-29-20(14-35-22)23(32)30-19-7-3-5-15-4-1-2-6-18(15)19;1-20(2,3)13-21(4,5)28-19(30)16-12-33-18(27-16)10-26-17(29)11-31-14-6-8-15(9-7-14)32-22(23,24)25;1-11(2)12(3)24-18(27)15-10-30-17(25-15)8-23-16(26)9-28-13-4-6-14(7-5-13)29-19(20,21)22;1-28-7-6-21-16(25)13-10-29-15(23-13)8-22-14(24)9-26-11-2-4-12(5-3-11)27-17(18,19)20;5-4(7)3-1-8-2-6-3/h2-12,15H,13-14H2,1H3,(H,28,32)(H,29,31);1-2,4,6,8-11,14,19H,3,5,7,12-13H2,(H,28,31)(H,30,32);6-9,12H,10-11,13H2,1-5H3,(H,26,29)(H,28,30);4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27);2-5,10H,6-9H2,1H3,(H,21,25)(H,22,24);1-2H,(H2,5,7).

What are the key properties of 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide?

2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2525.14 g/mol, XLogP of 20.66, 46 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;N-(3-methylbutan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(2-methylsulfanylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;1,3-thiazole-4-carboxamide;2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173062329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).