ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate

C24H28N6O6S3 — CID 11490248

About ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 11490248) has the molecular formula C24H28N6O6S3 and a molecular weight of 592.73 g/mol. Its IUPAC name is ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 11490248
• Molecular Formula: C24H28N6O6S3
• Molecular Weight: 592.73 g/mol
• Exact Mass: 592.12
• IUPAC Name: ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc([C@H]2CC[C@](N)(c3nc(C(=O)OCC)cs3)[C@@H](c3csc([C@H]4NC(=O)O[C@@H]4C)n3)N2)n1
• InChI: InChI=1S/C24H28N6O6S3/c1-4-34-20(31)14-9-37-18(28-14)12-6-7-24(25,22-29-15(10-39-22)21(32)35-5-2)17(26-12)13-8-38-19(27-13)16-11(3)36-23(33)30-16/h8-12,16-17,26H,4-7,25H2,1-3H3,(H,30,33)/t11-,12-,16+,17-,24-/m1/s1
• InChIKey: DOIRLXCFWWTZSY-ADXSXBNPSA-N
• XLogP: 3.60
• TPSA: 167.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.73
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate (CID 11490248) is ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@H]2CC[C@](N)(c3nc(C(=O)OCC)cs3)[C@@H](c3csc([C@H]4NC(=O)O[C@@H]4C)n3)N2)n1.

What is the InChIKey of ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is DOIRLXCFWWTZSY-ADXSXBNPSA-N. The full InChI is InChI=1S/C24H28N6O6S3/c1-4-34-20(31)14-9-37-18(28-14)12-6-7-24(25,22-29-15(10-39-22)21(32)35-5-2)17(26-12)13-8-38-19(27-13)16-11(3)36-23(33)30-16/h8-12,16-17,26H,4-7,25H2,1-3H3,(H,30,33)/t11-,12-,16+,17-,24-/m1/s1.

What are the key properties of ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate?

ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 592.73 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(2R,5R,6S)-5-amino-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]piperidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11490248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).