N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C108H93Cl2N29O5S5 — CID 159603809

About N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 159603809) has the molecular formula C108H93Cl2N29O5S5 and a molecular weight of 2108.37 g/mol. Its IUPAC name is N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 159603809
• Molecular Formula: C108H93Cl2N29O5S5
• Molecular Weight: 2108.37 g/mol
• Exact Mass: 2105.59
• IUPAC Name: N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Cc1cc(-c2nc(-c3ccc(N(C)C)nc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccc(-c4nnc(C)o4)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3cccc4cnccc34)c(-c3ncc[nH]3)s2)ccn1.CCC(=O)Nc1cc(-c2nc(-c3ccc(C)cc3Cl)c(-c3ncc[nH]3)s2)ccn1.CCCc1ccc(Cl)c(-c2nc(-c3ccnc(NCC)c3)sc2-c2ncc[nH]2)c1
• InChI: InChI=1S/C22H22ClN5S.C22H17N7O2S.C22H16N6OS.C21H18ClN5OS.C21H20N6OS/c1-3-5-14-6-7-17(23)16(12-14)19-20(21-26-10-11-27-21)29-22(28-19)15-8-9-25-18(13-15)24-4-2;1-12(30)26-17-11-16(7-8-23-17)22-27-18(19(32-22)20-24-9-10-25-20)14-3-5-15(6-4-14)21-29-28-13(2)31-21;1-13(29)27-18-11-14(5-8-24-18)22-28-19(20(30-22)21-25-9-10-26-21)17-4-2-3-15-12-23-7-6-16(15)17;1-3-17(28)26-16-11-13(6-7-23-16)21-27-18(14-5-4-12(2)10-15(14)22)19(29-21)20-24-8-9-25-20;1-13(28)10-16-11-14(6-7-22-16)21-26-18(19(29-21)20-23-8-9-24-20)15-4-5-17(25-12-15)27(2)3/h6-13H,3-5H2,1-2H3,(H,24,25)(H,26,27);3-11H,1-2H3,(H,24,25)(H,23,26,30);2-12H,1H3,(H,25,26)(H,24,27,29);4-11H,3H2,1-2H3,(H,24,25)(H,23,26,28);4-9,11-12H,10H2,1-3H3,(H,23,24)
• InChIKey: MLUYBGSRFVFBMM-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 456.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.37
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 159603809) is N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2nc(-c3ccc(N(C)C)nc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccc(-c4nnc(C)o4)cc3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3cccc4cnccc34)c(-c3ncc[nH]3)s2)ccn1.CCC(=O)Nc1cc(-c2nc(-c3ccc(C)cc3Cl)c(-c3ncc[nH]3)s2)ccn1.CCCc1ccc(Cl)c(-c2nc(-c3ccnc(NCC)c3)sc2-c2ncc[nH]2)c1.

What is the InChIKey of N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

The InChIKey is MLUYBGSRFVFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5S.C22H17N7O2S.C22H16N6OS.C21H18ClN5OS.C21H20N6OS/c1-3-5-14-6-7-17(23)16(12-14)19-20(21-26-10-11-27-21)29-22(28-19)15-8-9-25-18(13-15)24-4-2;1-12(30)26-17-11-16(7-8-23-17)22-27-18(19(32-22)20-24-9-10-25-20)14-3-5-15(6-4-14)21-29-28-13(2)31-21;1-13(29)27-18-11-14(5-8-24-18)22-28-19(20(30-22)21-25-9-10-26-21)17-4-2-3-15-12-23-7-6-16(15)17;1-3-17(28)26-16-11-13(6-7-23-16)21-27-18(14-5-4-12(2)10-15(14)22)19(29-21)20-24-8-9-25-20;1-13(28)10-16-11-14(6-7-22-16)21-26-18(19(29-21)20-23-8-9-24-20)15-4-5-17(25-12-15)27(2)3/h6-13H,3-5H2,1-2H3,(H,24,25)(H,26,27);3-11H,1-2H3,(H,24,25)(H,23,26,30);2-12H,1H3,(H,25,26)(H,24,27,29);4-11H,3H2,1-2H3,(H,24,25)(H,23,26,28);4-9,11-12H,10H2,1-3H3,(H,23,24).

What are the key properties of N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?

N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 2108.37 g/mol, XLogP of 25.07, 27 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propanamide;4-[4-(2-chloro-5-propylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine;1-[4-[4-[6-(dimethylamino)-3-pyridinyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-isoquinolin-5-yl-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159603809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).