4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

C25H27N5O6S — CID 25308411

About 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25308411) has the molecular formula C25H27N5O6S and a molecular weight of 525.59 g/mol. Its IUPAC name is 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 25308411
• Molecular Formula: C25H27N5O6S
• Molecular Weight: 525.59 g/mol
• Exact Mass: 525.17
• IUPAC Name: 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
• SMILES: COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1
• InChI: InChI=1S/C25H27N5O6S/c1-35-18-7-3-2-6-17(18)30(25(34)22-19(26)20(23(27)32)29-37-22)21(14-8-10-15(31)11-9-14)24(33)28-13-16-5-4-12-36-16/h2-3,6-11,16,21,31H,4-5,12-13,26H2,1H3,(H2,27,32)(H,28,33)/t16-,21+/m0/s1
• InChIKey: KTYKMUFIXXHDDE-HRAATJIYSA-N
• XLogP: 2.22
• TPSA: 170.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.59
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 25308411) is 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1.

What is the InChIKey of 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is KTYKMUFIXXHDDE-HRAATJIYSA-N. The full InChI is InChI=1S/C25H27N5O6S/c1-35-18-7-3-2-6-17(18)30(25(34)22-19(26)20(23(27)32)29-37-22)21(14-8-10-15(31)11-9-14)24(33)28-13-16-5-4-12-36-16/h2-3,6-11,16,21,31H,4-5,12-13,26H2,1H3,(H2,27,32)(H,28,33)/t16-,21+/m0/s1.

What are the key properties of 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 525.59 g/mol, XLogP of 2.22, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25308411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).