1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C122H100Cl3N31O7S6 — CID 158428952

About 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 158428952) has the molecular formula C122H100Cl3N31O7S6 and a molecular weight of 2411.11 g/mol. Its IUPAC name is 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 158428952
• Molecular Formula: C122H100Cl3N31O7S6
• Molecular Weight: 2411.11 g/mol
• Exact Mass: 2407.58
• IUPAC Name: 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Cc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncc[nH]3)s2)c(C)cn1.CC(=O)Cc1cc(-c2nc(-c3cnn(C)c3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccc(C(C)(C)C#N)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccncc3)c(-c3ncc[nH]3)s2)ccn1.COc1ccc(-c2nc(-c3ccnc(CC(C)=O)c3)sc2-c2ncc[nH]2)cc1.O=C(Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1)C1CC1
• InChI: InChI=1S/C23H20N6OS.C21H15Cl2N5OS.C21H17ClN4OS.C21H18N4O2S.C18H14N6OS.C18H16N6OS/c1-14(30)28-18-12-16(8-9-25-18)22-29-19(20(31-22)21-26-10-11-27-21)15-4-6-17(7-5-15)23(2,3)13-24;22-13-3-4-14(15(23)10-13)17-18(19-25-7-8-26-19)30-21(28-17)12-5-6-24-16(9-12)27-20(29)11-1-2-11;1-12-11-25-14(9-13(2)27)10-16(12)21-26-18(15-5-3-4-6-17(15)22)19(28-21)20-23-7-8-24-20;1-13(26)11-16-12-15(7-8-22-16)21-25-18(14-3-5-17(27-2)6-4-14)19(28-21)20-23-9-10-24-20;1-11(25)23-14-10-13(4-7-20-14)18-24-15(12-2-5-19-6-3-12)16(26-18)17-21-8-9-22-17;1-11(25)7-14-8-12(3-4-19-14)18-23-15(13-9-22-24(2)10-13)16(26-18)17-20-5-6-21-17/h4-12H,1-3H3,(H,26,27)(H,25,28,30);3-11H,1-2H2,(H,25,26)(H,24,27,29);3-8,10-11H,9H2,1-2H3,(H,23,24);3-10,12H,11H2,1-2H3,(H,23,24);2-10H,1H3,(H,21,22)(H,20,23,25);3-6,8-10H,7H2,1-2H3,(H,20,21)
• InChIKey: HBKKWYBAPPOOOK-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 529.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.11
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 158428952) is 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncc[nH]3)s2)c(C)cn1.CC(=O)Cc1cc(-c2nc(-c3cnn(C)c3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccc(C(C)(C)C#N)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccncc3)c(-c3ncc[nH]3)s2)ccn1.COc1ccc(-c2nc(-c3ccnc(CC(C)=O)c3)sc2-c2ncc[nH]2)cc1.O=C(Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1)C1CC1.

What is the InChIKey of 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The InChIKey is HBKKWYBAPPOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS.C21H15Cl2N5OS.C21H17ClN4OS.C21H18N4O2S.C18H14N6OS.C18H16N6OS/c1-14(30)28-18-12-16(8-9-25-18)22-29-19(20(31-22)21-26-10-11-27-21)15-4-6-17(7-5-15)23(2,3)13-24;22-13-3-4-14(15(23)10-13)17-18(19-25-7-8-26-19)30-21(28-17)12-5-6-24-16(9-12)27-20(29)11-1-2-11;1-12-11-25-14(9-13(2)27)10-16(12)21-26-18(15-5-3-4-6-17(15)22)19(28-21)20-23-7-8-24-20;1-13(26)11-16-12-15(7-8-22-16)21-25-18(14-3-5-17(27-2)6-4-14)19(28-21)20-23-9-10-24-20;1-11(25)23-14-10-13(4-7-20-14)18-24-15(12-2-5-19-6-3-12)16(26-18)17-21-8-9-22-17;1-11(25)7-14-8-12(3-4-19-14)18-23-15(13-9-22-24(2)10-13)16(26-18)17-20-5-6-21-17/h4-12H,1-3H3,(H,26,27)(H,25,28,30);3-11H,1-2H2,(H,25,26)(H,24,27,29);3-8,10-11H,9H2,1-2H3,(H,23,24);3-10,12H,11H2,1-2H3,(H,23,24);2-10H,1H3,(H,21,22)(H,20,23,25);3-6,8-10H,7H2,1-2H3,(H,20,21).

What are the key properties of 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 2411.11 g/mol, XLogP of 27.44, 30 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[4-[4-(2-cyanopropan-2-yl)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[5-(1H-imidazol-2-yl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;1-[4-[5-(1H-imidazol-2-yl)-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158428952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).