3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

C99H82Cl4F3N21O9S7 — CID 162245298

About 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 162245298) has the molecular formula C99H82Cl4F3N21O9S7 and a molecular weight of 2133.16 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 162245298
• Molecular Formula: C99H82Cl4F3N21O9S7
• Molecular Weight: 2133.16 g/mol
• Exact Mass: 2129.34
• IUPAC Name: 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
• SMILES: COc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1O.NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(F)cc1Cl.NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1Cl.NCCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1Cl.O=C(Cc1cccs1)Nc1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc(F)cc1F
• InChI: InChI=1S/C18H17ClN4OS.C17H14Cl2N4OS.C17H14ClFN4OS.C17H15N3O3S.C16H11F2N3O2S.C14H11N3OS2/c19-15-4-2-1-3-13(15)14(5-8-20)17(24)23-18-22-16(11-25-18)12-6-9-21-10-7-12;18-13-3-1-2-11(15(13)19)12(8-20)16(24)23-17-22-14(9-25-17)10-4-6-21-7-5-10;18-14-7-11(19)1-2-12(14)13(8-20)16(24)23-17-22-15(9-25-17)10-3-5-21-6-4-10;1-23-15-3-2-11(8-14(15)21)9-16(22)20-17-19-13(10-24-17)12-4-6-18-7-5-12;17-10-1-2-11(12(18)7-10)14(22)15(23)21-16-20-13(8-24-16)9-3-5-19-6-4-9;18-13(8-11-2-1-7-19-11)17-14-16-12(9-20-14)10-3-5-15-6-4-10/h1-4,6-7,9-11,14H,5,8,20H2,(H,22,23,24);1-7,9,12H,8,20H2,(H,22,23,24);1-7,9,13H,8,20H2,(H,22,23,24);2-8,10,21H,9H2,1H3,(H,19,20,22);1-8,14,22H,(H,20,21,23);1-7,9H,8H2,(H,16,17,18)
• InChIKey: ZXGGQZFEMPCADI-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 457.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.16
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?

The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (CID 162245298) is 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?

The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is COc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1O.NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(F)cc1Cl.NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1Cl.NCCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1Cl.O=C(Cc1cccs1)Nc1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc(F)cc1F.

What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?

The InChIKey is ZXGGQZFEMPCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS.C17H14Cl2N4OS.C17H14ClFN4OS.C17H15N3O3S.C16H11F2N3O2S.C14H11N3OS2/c19-15-4-2-1-3-13(15)14(5-8-20)17(24)23-18-22-16(11-25-18)12-6-9-21-10-7-12;18-13-3-1-2-11(15(13)19)12(8-20)16(24)23-17-22-14(9-25-17)10-4-6-21-7-5-10;18-14-7-11(19)1-2-12(14)13(8-20)16(24)23-17-22-15(9-25-17)10-3-5-21-6-4-10;1-23-15-3-2-11(8-14(15)21)9-16(22)20-17-19-13(10-24-17)12-4-6-18-7-5-12;17-10-1-2-11(12(18)7-10)14(22)15(23)21-16-20-13(8-24-16)9-3-5-19-6-4-9;18-13(8-11-2-1-7-19-11)17-14-16-12(9-20-14)10-3-5-15-6-4-10/h1-4,6-7,9-11,14H,5,8,20H2,(H,22,23,24);1-7,9,12H,8,20H2,(H,22,23,24);1-7,9,13H,8,20H2,(H,22,23,24);2-8,10,21H,9H2,1H3,(H,19,20,22);1-8,14,22H,(H,20,21,23);1-7,9H,8H2,(H,16,17,18).

What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?

3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 2133.16 g/mol, XLogP of 21.50, 29 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;4-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;3-amino-2-(2,3-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(2,4-difluorophenyl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxy-4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 162245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).