4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one

C104H81Cl7N18O6S6 — CID 159445123

About 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one

4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 159445123) has the molecular formula C104H81Cl7N18O6S6 and a molecular weight of 2119.48 g/mol. Its IUPAC name is 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

• Compound Name: 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one
• PubChem CID: 159445123
• Molecular Formula: C104H81Cl7N18O6S6
• Molecular Weight: 2119.48 g/mol
• Exact Mass: 2114.27
• IUPAC Name: 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one
• SMILES: NCCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1.N[C@@H](C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1.O=C(Cc1c(Cl)cccc1Cl)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1.O=C(Cc1nc(-c2ccncc2)cs1)Cc1cccc2ccccc12.O=C(Cc1nc(-c2ccncc2)cs1)Cc1ccccc1Cl
• InChI: InChI=1S/C21H16N2OS.C18H16Cl2N4OS.C17H13ClN2OS.2C16H11Cl2N3OS.C16H14N4OS/c24-18(12-17-6-3-5-15-4-1-2-7-19(15)17)13-21-23-20(14-25-21)16-8-10-22-11-9-16;19-14-2-1-12(9-15(14)20)13(3-6-21)17(25)24-18-23-16(10-26-18)11-4-7-22-8-5-11;18-15-4-2-1-3-13(15)9-14(21)10-17-20-16(11-22-17)12-5-7-19-8-6-12;17-12-2-1-11(13(18)8-12)7-15(22)21-16-20-14(9-23-16)10-3-5-19-6-4-10;17-12-2-1-3-13(18)11(12)8-15(22)21-16-20-14(9-23-16)10-4-6-19-7-5-10;17-14(12-4-2-1-3-5-12)15(21)20-16-19-13(10-22-16)11-6-8-18-9-7-11/h1-11,14H,12-13H2;1-2,4-5,7-10,13H,3,6,21H2,(H,23,24,25);1-8,11H,9-10H2;1-6,8-9H,7H2,(H,20,21,22);1-7,9H,8H2,(H,20,21,22);1-10,14H,17H2,(H,19,20,21)/t;;;;;14-/m.....1/s1
• InChIKey: LSQXSSPKEZJRTA-IWIOUCEBSA-N
• XLogP: 25.74
• TPSA: 357.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2119.48
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one?

The IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one (CID 159445123) is 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one.

What is the SMILES notation for 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one?

The canonical SMILES for 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one is NCCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1.N[C@@H](C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1.O=C(Cc1c(Cl)cccc1Cl)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1.O=C(Cc1nc(-c2ccncc2)cs1)Cc1cccc2ccccc12.O=C(Cc1nc(-c2ccncc2)cs1)Cc1ccccc1Cl.

What is the InChIKey of 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one?

The InChIKey is LSQXSSPKEZJRTA-IWIOUCEBSA-N. The full InChI is InChI=1S/C21H16N2OS.C18H16Cl2N4OS.C17H13ClN2OS.2C16H11Cl2N3OS.C16H14N4OS/c24-18(12-17-6-3-5-15-4-1-2-7-19(15)17)13-21-23-20(14-25-21)16-8-10-22-11-9-16;19-14-2-1-12(9-15(14)20)13(3-6-21)17(25)24-18-23-16(10-26-18)11-4-7-22-8-5-11;18-15-4-2-1-3-13(15)9-14(21)10-17-20-16(11-22-17)12-5-7-19-8-6-12;17-12-2-1-11(13(18)8-12)7-15(22)21-16-20-14(9-23-16)10-3-5-19-6-4-10;17-12-2-1-3-13(18)11(12)8-15(22)21-16-20-14(9-23-16)10-4-6-19-7-5-10;17-14(12-4-2-1-3-5-12)15(21)20-16-19-13(10-22-16)11-6-8-18-9-7-11/h1-11,14H,12-13H2;1-2,4-5,7-10,13H,3,6,21H2,(H,23,24,25);1-8,11H,9-10H2;1-6,8-9H,7H2,(H,20,21,22);1-7,9H,8H2,(H,20,21,22);1-10,14H,17H2,(H,19,20,21)/t;;;;;14-/m.....1/s1.

What are the key properties of 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one?

4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 2119.48 g/mol, XLogP of 25.74, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(3,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide;(2R)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-(2-chlorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,6-dichlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;1-naphthalen-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 159445123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).