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

C74H91N15O15S3 — CID 158039571

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

N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 158039571) has the molecular formula C74H91N15O15S3 and a molecular weight of 1526.83 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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: N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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: 158039571
• Molecular Formula: C74H91N15O15S3
• Molecular Weight: 1526.83 g/mol
• Exact Mass: 1525.60
• IUPAC Name: N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1.Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCNCC2)s1
• InChI: InChI=1S/C28H35N5O6S.C18H19N5O2S.C15H18N2O3.C13H19N3O4S/c1-27(2,3)38-25(35)31-19-10-9-18(21-8-7-15-37-21)16-20(19)30-23(34)22-17-29-24(40-22)32-11-13-33(14-12-32)26(36)39-28(4,5)6;19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)16-11-21-18(26-16)23-7-5-20-6-8-23;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/h7-10,15-17H,11-14H2,1-6H3,(H,30,34)(H,31,35);1-4,9-11,20H,5-8,19H2,(H,22,24);4-9H,16H2,1-3H3,(H,17,18);8H,4-7H2,1-3H3,(H,17,18)
• InChIKey: FIEKLVFBMDQQSF-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 383.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.83
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	8
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 N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 158039571) is N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1.Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCNCC2)s1.

What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 FIEKLVFBMDQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O6S.C18H19N5O2S.C15H18N2O3.C13H19N3O4S/c1-27(2,3)38-25(35)31-19-10-9-18(21-8-7-15-37-21)16-20(19)30-23(34)22-17-29-24(40-22)32-11-13-33(14-12-32)26(36)39-28(4,5)6;19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)16-11-21-18(26-16)23-7-5-20-6-8-23;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/h7-10,15-17H,11-14H2,1-6H3,(H,30,34)(H,31,35);1-4,9-11,20H,5-8,19H2,(H,22,24);4-9H,16H2,1-3H3,(H,17,18);8H,4-7H2,1-3H3,(H,17,18).

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

N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 1526.83 g/mol, XLogP of 14.48, 13 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(furan-2-yl)phenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-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 158039571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).