2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one

C119H132N16O14S12 — CID 158461628

About 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one

2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one (PubChem CID 158461628) has the molecular formula C119H132N16O14S12 and a molecular weight of 2395.27 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one.

Molecular Properties

• Compound Name: 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one
• PubChem CID: 158461628
• Molecular Formula: C119H132N16O14S12
• Molecular Weight: 2395.27 g/mol
• Exact Mass: 2392.68
• IUPAC Name: 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one
• SMILES: CC(=O)/C=C/c1cccc(CC(=O)c2nc(-c3nccs3)sc2CC(C)C)c1.CC(=O)c1ccc(CC(=O)c2nc(-c3nccs3)sc2CC(C)C)cc1.CCC(=O)CCCCCC(=O)c1nc(-c2nc(C3CC3)cs2)sc1C1CC1.CCC(=O)CCCCCC(=O)c1nc(-c2ncc([N+](=O)[O-])s2)sc1C1CC1.CNC(=O)C1CCN(C(=O)c2nc(-c3nccs3)sc2CC(C)C)CC1.CNC(=O)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
• InChI: InChI=1S/C22H22N2O2S2.C21H26N2O2S2.C20H19N3O2S2.C20H20N2O2S2.C18H24N4O2S2.C18H21N3O4S2/c1-14(2)11-19-20(24-22(28-19)21-23-9-10-27-21)18(26)13-17-6-4-5-16(12-17)8-7-15(3)25;1-2-15(24)6-4-3-5-7-17(25)18-19(14-10-11-14)27-21(23-18)20-22-16(12-26-20)13-8-9-13;1-21-18(25)14-5-2-12(3-6-14)4-9-15(24)16-17(13-7-8-13)27-20(23-16)19-22-10-11-26-19;1-12(2)10-17-18(22-20(26-17)19-21-8-9-25-19)16(24)11-14-4-6-15(7-5-14)13(3)23;1-11(2)10-13-14(21-17(26-13)16-20-6-9-25-16)18(24)22-7-4-12(5-8-22)15(23)19-3;1-2-12(22)6-4-3-5-7-13(23)15-16(11-8-9-11)27-18(20-15)17-19-10-14(26-17)21(24)25/h4-10,12,14H,11,13H2,1-3H3;12-14H,2-11H2,1H3;2-3,5-6,10-11,13H,4,7-9H2,1H3,(H,21,25);4-9,12H,10-11H2,1-3H3;6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,19,23);10-11H,2-9H2,1H3/b8-7+
• InChIKey: HFGBBXJLNYIQNM-MRNRQEKCSA-N
• XLogP: 29.27
• TPSA: 429.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 49
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.27
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one?

The IUPAC name of 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one (CID 158461628) is 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one.

What is the SMILES notation for 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one?

The canonical SMILES for 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one is CC(=O)/C=C/c1cccc(CC(=O)c2nc(-c3nccs3)sc2CC(C)C)c1.CC(=O)c1ccc(CC(=O)c2nc(-c3nccs3)sc2CC(C)C)cc1.CCC(=O)CCCCCC(=O)c1nc(-c2nc(C3CC3)cs2)sc1C1CC1.CCC(=O)CCCCCC(=O)c1nc(-c2ncc([N+](=O)[O-])s2)sc1C1CC1.CNC(=O)C1CCN(C(=O)c2nc(-c3nccs3)sc2CC(C)C)CC1.CNC(=O)c1ccc(CCC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1.

What is the InChIKey of 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one?

The InChIKey is HFGBBXJLNYIQNM-MRNRQEKCSA-N. The full InChI is InChI=1S/C22H22N2O2S2.C21H26N2O2S2.C20H19N3O2S2.C20H20N2O2S2.C18H24N4O2S2.C18H21N3O4S2/c1-14(2)11-19-20(24-22(28-19)21-23-9-10-27-21)18(26)13-17-6-4-5-16(12-17)8-7-15(3)25;1-2-15(24)6-4-3-5-7-17(25)18-19(14-10-11-14)27-21(23-18)20-22-16(12-26-20)13-8-9-13;1-21-18(25)14-5-2-12(3-6-14)4-9-15(24)16-17(13-7-8-13)27-20(23-16)19-22-10-11-26-19;1-12(2)10-17-18(22-20(26-17)19-21-8-9-25-19)16(24)11-14-4-6-15(7-5-14)13(3)23;1-11(2)10-13-14(21-17(26-13)16-20-6-9-25-16)18(24)22-7-4-12(5-8-22)15(23)19-3;1-2-12(22)6-4-3-5-7-13(23)15-16(11-8-9-11)27-18(20-15)17-19-10-14(26-17)21(24)25/h4-10,12,14H,11,13H2,1-3H3;12-14H,2-11H2,1H3;2-3,5-6,10-11,13H,4,7-9H2,1H3,(H,21,25);4-9,12H,10-11H2,1-3H3;6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,19,23);10-11H,2-9H2,1H3/b8-7+;;;;;.

What are the key properties of 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one?

2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one has a molecular weight of 2395.27 g/mol, XLogP of 29.27, 49 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylphenyl)-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethanone;1-[5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;N-methyl-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide;(E)-4-[3-[2-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-2-oxoethyl]phenyl]but-3-en-2-one is sourced from PubChem (CID 158461628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).