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

C97H110N14O12S10 — CID 157433781

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

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 (PubChem CID 157433781) has the molecular formula C97H110N14O12S10 and a molecular weight of 1984.70 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.

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
• PubChem CID: 157433781
• Molecular Formula: C97H110N14O12S10
• Molecular Weight: 1984.70 g/mol
• Exact Mass: 1982.56
• 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
• SMILES: 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/C21H26N2O2S2.C20H19N3O2S2.C20H20N2O2S2.C18H24N4O2S2.C18H21N3O4S2/c1-2-15(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/h12-14H,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
• InChIKey: BQVWJHBWCMMZAG-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 370.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.70
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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?

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 (CID 157433781) 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.

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?

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 is 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?

The InChIKey is BQVWJHBWCMMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S2.C20H19N3O2S2.C20H20N2O2S2.C18H24N4O2S2.C18H21N3O4S2/c1-2-15(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/h12-14H,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.

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?

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 has a molecular weight of 1984.70 g/mol, XLogP of 23.77, 41 rotatable bonds, 2 hydrogen bond donors, and 32 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 is sourced from PubChem (CID 157433781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).