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

C54H63N9O8S3 — CID 157330820

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

2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate (PubChem CID 157330820) has the molecular formula C54H63N9O8S3 and a molecular weight of 1062.35 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate
• PubChem CID: 157330820
• Molecular Formula: C54H63N9O8S3
• Molecular Weight: 1062.35 g/mol
• Exact Mass: 1061.40
• IUPAC Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCCCC2)s1.COC(=O)c1cnc(N2CCCCC2)s1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)s1
• InChI: InChI=1S/C25H29N3O4S.C19H20N4O2S.C10H14N2O2S/c1-25(2,3)32-24(30)27-20-8-7-17(18-9-12-31-16-18)13-19(20)14-21(29)22-15-26-23(33-22)28-10-5-4-6-11-28;20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)18-11-22-19(26-18)23-6-4-21-5-7-23;1-14-9(13)8-7-11-10(15-8)12-5-3-2-4-6-12/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3,(H,27,30);1-3,8-9,11-12,21H,4-7,10,20H2;7H,2-6H2,1H3
• InChIKey: BFGPWFMXZAEFLM-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 211.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1062.35
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate?

The IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate (CID 157330820) is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate.

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

The canonical SMILES for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCCCC2)s1.COC(=O)c1cnc(N2CCCCC2)s1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.

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

The InChIKey is BFGPWFMXZAEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S.C19H20N4O2S.C10H14N2O2S/c1-25(2,3)32-24(30)27-20-8-7-17(18-9-12-31-16-18)13-19(20)14-21(29)22-15-26-23(33-22)28-10-5-4-6-11-28;20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)18-11-22-19(26-18)23-6-4-21-5-7-23;1-14-9(13)8-7-11-10(15-8)12-5-3-2-4-6-12/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3,(H,27,30);1-3,8-9,11-12,21H,4-7,10,20H2;7H,2-6H2,1H3.

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

2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate has a molecular weight of 1062.35 g/mol, XLogP of 10.91, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethyl]phenyl]carbamate;methyl 2-piperidin-1-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 157330820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).