4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

C25H25N5O6S — CID 25304089

About 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25304089) has the molecular formula C25H25N5O6S and a molecular weight of 523.57 g/mol. Its IUPAC name is 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 25304089
• Molecular Formula: C25H25N5O6S
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.15
• IUPAC Name: 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
• InChI: InChI=1S/C25H25N5O6S/c1-14-5-10-18(36-14)21(24(32)28-12-15-6-8-16(34-2)9-7-15)30(13-17-4-3-11-35-17)25(33)22-19(26)20(23(27)31)29-37-22/h3-11,21H,12-13,26H2,1-2H3,(H2,27,31)(H,28,32)/t21-/m1/s1
• InChIKey: PXYVQRCWPLERRN-OAQYLSRUSA-N
• XLogP: 3.03
• TPSA: 166.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (CID 25304089) is 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1.

What is the InChIKey of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is PXYVQRCWPLERRN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N5O6S/c1-14-5-10-18(36-14)21(24(32)28-12-15-6-8-16(34-2)9-7-15)30(13-17-4-3-11-35-17)25(33)22-19(26)20(23(27)31)29-37-22/h3-11,21H,12-13,26H2,1-2H3,(H2,27,31)(H,28,32)/t21-/m1/s1.

What are the key properties of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 523.57 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).