2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

C76H93N13O15S3 — CID 160529235

About 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 160529235) has the molecular formula C76H93N13O15S3 and a molecular weight of 1524.86 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 160529235
• Molecular Formula: C76H93N13O15S3
• Molecular Weight: 1524.86 g/mol
• Exact Mass: 1523.61
• IUPAC Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)s2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.Nc1ccc(-c2ccco2)cc1CC(=O)c1cnc(N2CCNCC2)s1
• InChI: InChI=1S/C29H36N4O6S.C19H20N4O2S.C15H18N2O3.C13H19N3O4S/c1-28(2,3)38-26(35)31-21-10-9-19(23-8-7-15-37-23)16-20(21)17-22(34)24-18-30-25(40-24)32-11-13-33(14-12-32)27(36)39-29(4,5)6;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)18-12-22-19(26-18)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;1-13(2,3)20-12(19)16-6-4-15(5-7-16)11-14-8-9(21-11)10(17)18/h7-10,15-16,18H,11-14,17H2,1-6H3,(H,31,35);1-4,9-10,12,21H,5-8,11,20H2;4-9H,16H2,1-3H3,(H,17,18);8H,4-7H2,1-3H3,(H,17,18)
• InChIKey: QVHUXBWVEUOMKO-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 359.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1524.86
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?

The IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 160529235) is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)s2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.Nc1ccc(-c2ccco2)cc1CC(=O)c1cnc(N2CCNCC2)s1.

What is the InChIKey of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?

The InChIKey is QVHUXBWVEUOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O6S.C19H20N4O2S.C15H18N2O3.C13H19N3O4S/c1-28(2,3)38-26(35)31-21-10-9-19(23-8-7-15-37-23)16-20(21)17-22(34)24-18-30-25(40-24)32-11-13-33(14-12-32)27(36)39-29(4,5)6;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)18-12-22-19(26-18)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;1-13(2,3)20-12(19)16-6-4-15(5-7-16)11-14-8-9(21-11)10(17)18/h7-10,15-16,18H,11-14,17H2,1-6H3,(H,31,35);1-4,9-10,12,21H,5-8,11,20H2;4-9H,16H2,1-3H3,(H,17,18);8H,4-7H2,1-3H3,(H,17,18).

What are the key properties of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?

2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 1524.86 g/mol, XLogP of 14.83, 15 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 160529235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).