2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid

C88H101N15O13S4 — CID 160611789

About 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid

2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 160611789) has the molecular formula C88H101N15O13S4 and a molecular weight of 1705.14 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid
• PubChem CID: 160611789
• Molecular Formula: C88H101N15O13S4
• Molecular Weight: 1705.14 g/mol
• Exact Mass: 1703.66
• IUPAC Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCCCC2)s1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CN1CCN(c2cnc(C(=O)Cc3cc(-c4ccco4)ccc3N)s2)CC1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCNCC2)s1.O=C(O)c1ncc(N2CCCCC2)s1
• InChI: InChI=1S/C25H29N3O4S.C20H22N4O2S.C19H20N4O2S.C15H18N2O3.C9H12N2O2S/c1-25(2,3)32-24(30)27-19-10-9-17(21-8-7-13-31-21)14-18(19)15-20(29)23-26-16-22(33-23)28-11-5-4-6-12-28;1-23-6-8-24(9-7-23)19-13-22-20(27-19)17(25)12-15-11-14(4-5-16(15)21)18-3-2-10-26-18;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-12-18(26-19)23-7-5-21-6-8-23;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;12-9(13)8-10-6-7(14-8)11-4-2-1-3-5-11/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,27,30);2-5,10-11,13H,6-9,12,21H2,1H3;1-4,9-10,12,21H,5-8,11,20H2;4-9H,16H2,1-3H3,(H,17,18);6H,1-5H2,(H,12,13)
• InChIKey: RFOVMTAFXPCCSE-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 375.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.14
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?

The IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid (CID 160611789) is 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?

The canonical SMILES for 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCCCC2)s1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CN1CCN(c2cnc(C(=O)Cc3cc(-c4ccco4)ccc3N)s2)CC1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCNCC2)s1.O=C(O)c1ncc(N2CCCCC2)s1.

What is the InChIKey of 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?

The InChIKey is RFOVMTAFXPCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S.C20H22N4O2S.C19H20N4O2S.C15H18N2O3.C9H12N2O2S/c1-25(2,3)32-24(30)27-19-10-9-17(21-8-7-13-31-21)14-18(19)15-20(29)23-26-16-22(33-23)28-11-5-4-6-12-28;1-23-6-8-24(9-7-23)19-13-22-20(27-19)17(25)12-15-11-14(4-5-16(15)21)18-3-2-10-26-18;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-12-18(26-19)23-7-5-21-6-8-23;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;12-9(13)8-10-6-7(14-8)11-4-2-1-3-5-11/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,27,30);2-5,10-11,13H,6-9,12,21H2,1H3;1-4,9-10,12,21H,5-8,11,20H2;4-9H,16H2,1-3H3,(H,17,18);6H,1-5H2,(H,12,13).

What are the key properties of 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?

2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 1705.14 g/mol, XLogP of 17.86, 20 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-1,3-thiazol-2-yl)ethyl]phenyl]carbamate;5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 160611789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).