3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C120H98ClFN22O12S10 — CID 159102857

About 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 159102857) has the molecular formula C120H98ClFN22O12S10 and a molecular weight of 2415.37 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 159102857
• Molecular Formula: C120H98ClFN22O12S10
• Molecular Weight: 2415.37 g/mol
• Exact Mass: 2412.46
• IUPAC Name: 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• SMILES: NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1Cl.O=C(CCc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1.O=C(CCc1cccc2ccccc12)Nc1nc(-c2ccncc2)cs1.O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(CS(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(CSc1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C21H17N3OS.C17H15ClN4OS.C17H14FN3OS.C17H13N3O3S.C16H13N3O3S2.C16H13N3O2S2.C16H13N3OS2/c25-20(9-8-16-6-3-5-15-4-1-2-7-18(15)16)24-21-23-19(14-26-21)17-10-12-22-13-11-17;18-14-4-2-1-3-12(14)13(9-19)16(23)22-17-21-15(10-24-17)11-5-7-20-8-6-11;18-14-3-1-2-12(10-14)4-5-16(22)21-17-20-15(11-23-17)13-6-8-19-9-7-13;21-16(8-11-1-2-14-15(7-11)23-10-22-14)20-17-19-13(9-24-17)12-3-5-18-6-4-12;20-15(11-24(21,22)13-4-2-1-3-5-13)19-16-18-14(10-23-16)12-6-8-17-9-7-12;20-15(11-23(21)13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12;20-15(11-21-13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12/h1-7,10-14H,8-9H2,(H,23,24,25);1-8,10,13H,9,19H2,(H,21,22,23);1-3,6-11H,4-5H2,(H,20,21,22);1-7,9H,8,10H2,(H,19,20,21);1-10H,11H2,(H,18,19,20);1-10H,11H2,(H,18,19,20);1-10H,11H2,(H,18,19,20)
• InChIKey: KDMQZUKEHPTZOX-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 479.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.37
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 159102857) is 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is NCC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1Cl.O=C(CCc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1.O=C(CCc1cccc2ccccc12)Nc1nc(-c2ccncc2)cs1.O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(CS(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(CSc1ccccc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccncc2)cs1.

What is the InChIKey of 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is KDMQZUKEHPTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS.C17H15ClN4OS.C17H14FN3OS.C17H13N3O3S.C16H13N3O3S2.C16H13N3O2S2.C16H13N3OS2/c25-20(9-8-16-6-3-5-15-4-1-2-7-18(15)16)24-21-23-19(14-26-21)17-10-12-22-13-11-17;18-14-4-2-1-3-12(14)13(9-19)16(23)22-17-21-15(10-24-17)11-5-7-20-8-6-11;18-14-3-1-2-12(10-14)4-5-16(22)21-17-20-15(11-23-17)13-6-8-19-9-7-13;21-16(8-11-1-2-14-15(7-11)23-10-22-14)20-17-19-13(9-24-17)12-3-5-18-6-4-12;20-15(11-24(21,22)13-4-2-1-3-5-13)19-16-18-14(10-23-16)12-6-8-17-9-7-12;20-15(11-23(21)13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12;20-15(11-21-13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12/h1-7,10-14H,8-9H2,(H,23,24,25);1-8,10,13H,9,19H2,(H,21,22,23);1-3,6-11H,4-5H2,(H,20,21,22);1-7,9H,8,10H2,(H,19,20,21);1-10H,11H2,(H,18,19,20);1-10H,11H2,(H,18,19,20);1-10H,11H2,(H,18,19,20).

What are the key properties of 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2415.37 g/mol, XLogP of 25.00, 34 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 159102857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).