N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide

C27H28N4O3S — CID 112834644

About N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide

N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 112834644) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide
• PubChem CID: 112834644
• Molecular Formula: C27H28N4O3S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide
• SMILES: COc1ccc(-c2nc(CN3CCN(C(=O)NC(c4ccccc4)c4ccco4)CC3)cs2)cc1
• InChI: InChI=1S/C27H28N4O3S/c1-33-23-11-9-21(10-12-23)26-28-22(19-35-26)18-30-13-15-31(16-14-30)27(32)29-25(24-8-5-17-34-24)20-6-3-2-4-7-20/h2-12,17,19,25H,13-16,18H2,1H3,(H,29,32)
• InChIKey: LZYIQXRLEHPLCE-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide?

The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide (CID 112834644) is N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide?

The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide is COc1ccc(-c2nc(CN3CCN(C(=O)NC(c4ccccc4)c4ccco4)CC3)cs2)cc1.

What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide?

The InChIKey is LZYIQXRLEHPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-33-23-11-9-21(10-12-23)26-28-22(19-35-26)18-30-13-15-31(16-14-30)27(32)29-25(24-8-5-17-34-24)20-6-3-2-4-7-20/h2-12,17,19,25H,13-16,18H2,1H3,(H,29,32).

What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide?

N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 112834644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).