N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide

C144H146Cl3N25O11S7 — CID 161433036

About N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 161433036) has the molecular formula C144H146Cl3N25O11S7 and a molecular weight of 2733.74 g/mol. Its IUPAC name is N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 161433036
• Molecular Formula: C144H146Cl3N25O11S7
• Molecular Weight: 2733.74 g/mol
• Exact Mass: 2729.87
• IUPAC Name: N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
• SMILES: C.C.Cc1cc(-c2csc(NC(=O)Cc3cc4c(cc3Cl)OCO4)n2)ccn1.Cc1cc(-c2csc(NC(=O)Cc3cccc(CCCCN4CCC(C)CC4)c3)n2)ccn1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1.Nc1cc(-c2csc(NC(=O)Cc3cccc(CCCCCl)c3)n2)ccn1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1nc(-c2ccnc(NCc3ccccc3)c2)cs1
• InChI: InChI=1S/C27H34N4OS.C24H19ClN4O3S.C20H21ClN4OS.C18H14ClN3O3S.2C18H17N3OS.C17H16N4OS.2CH4/c1-20-10-14-31(15-11-20)13-4-3-6-22-7-5-8-23(17-22)18-26(32)30-27-29-25(19-33-27)24-9-12-28-21(2)16-24;25-18-11-21-20(31-14-32-21)8-17(18)10-23(30)29-24-28-19(13-33-24)16-6-7-26-22(9-16)27-12-15-4-2-1-3-5-15;21-8-2-1-4-14-5-3-6-15(10-14)11-19(26)25-20-24-17(13-27-20)16-7-9-23-18(22)12-16;1-10-4-11(2-3-20-10)14-8-26-18(21-14)22-17(23)6-12-5-15-16(7-13(12)19)25-9-24-15;2*1-12-4-3-5-14(8-12)10-17(22)21-18-20-16(11-23-18)15-6-7-19-13(2)9-15;1-11-3-2-4-12(7-11)8-16(22)21-17-20-14(10-23-17)13-5-6-19-15(18)9-13;;/h5,7-9,12,16-17,19-20H,3-4,6,10-11,13-15,18H2,1-2H3,(H,29,30,32);1-9,11,13H,10,12,14H2,(H,26,27)(H,28,29,30);3,5-7,9-10,12-13H,1-2,4,8,11H2,(H2,22,23)(H,24,25,26);2-5,7-8H,6,9H2,1H3,(H,21,22,23);2*3-9,11H,10H2,1-2H3,(H,20,21,22);2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22);2*1H4
• InChIKey: VYGUJOVMUJOQKW-UHFFFAOYSA-N
• XLogP: 32.29
• TPSA: 488.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.74
LogP ≤ 5	32.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (CID 161433036) is N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is C.C.Cc1cc(-c2csc(NC(=O)Cc3cc4c(cc3Cl)OCO4)n2)ccn1.Cc1cc(-c2csc(NC(=O)Cc3cccc(CCCCN4CCC(C)CC4)c3)n2)ccn1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1.Cc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1.Nc1cc(-c2csc(NC(=O)Cc3cccc(CCCCCl)c3)n2)ccn1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1nc(-c2ccnc(NCc3ccccc3)c2)cs1.

What is the InChIKey of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is VYGUJOVMUJOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4OS.C24H19ClN4O3S.C20H21ClN4OS.C18H14ClN3O3S.2C18H17N3OS.C17H16N4OS.2CH4/c1-20-10-14-31(15-11-20)13-4-3-6-22-7-5-8-23(17-22)18-26(32)30-27-29-25(19-33-27)24-9-12-28-21(2)16-24;25-18-11-21-20(31-14-32-21)8-17(18)10-23(30)29-24-28-19(13-33-24)16-6-7-26-22(9-16)27-12-15-4-2-1-3-5-15;21-8-2-1-4-14-5-3-6-15(10-14)11-19(26)25-20-24-17(13-27-20)16-7-9-23-18(22)12-16;1-10-4-11(2-3-20-10)14-8-26-18(21-14)22-17(23)6-12-5-15-16(7-13(12)19)25-9-24-15;2*1-12-4-3-5-14(8-12)10-17(22)21-18-20-16(11-23-18)15-6-7-19-13(2)9-15;1-11-3-2-4-12(7-11)8-16(22)21-17-20-14(10-23-17)13-5-6-19-15(18)9-13;;/h5,7-9,12,16-17,19-20H,3-4,6,10-11,13-15,18H2,1-2H3,(H,29,30,32);1-9,11,13H,10,12,14H2,(H,26,27)(H,28,29,30);3,5-7,9-10,12-13H,1-2,4,8,11H2,(H2,22,23)(H,24,25,26);2-5,7-8H,6,9H2,1H3,(H,21,22,23);2*3-9,11H,10H2,1-2H3,(H,20,21,22);2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22);2*1H4.

What are the key properties of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?

N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 2733.74 g/mol, XLogP of 32.29, 40 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-chlorobutyl)phenyl]acetamide;N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide;N-[4-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-2-yl]-2-(6-chloro-1,3-benzodioxol-5-yl)acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide;methane;bis(2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide);2-[3-[4-(4-methylpiperidin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 161433036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).