tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C23H32N4O5S3 — CID 11364714

About tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11364714) has the molecular formula C23H32N4O5S3 and a molecular weight of 540.73 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11364714
• Molecular Formula: C23H32N4O5S3
• Molecular Weight: 540.73 g/mol
• Exact Mass: 540.15
• IUPAC Name: tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CCOC(=O)c1csc([C@@H]2CSC(c3csc([C@@H]4[C@@H](C)OC(C)(C)N4C(=O)OC(C)(C)C)n3)N2)n1
• InChI: InChI=1S/C23H32N4O5S3/c1-8-30-20(28)15-11-34-18(26-15)13-9-33-17(24-13)14-10-35-19(25-14)16-12(2)31-23(6,7)27(16)21(29)32-22(3,4)5/h10-13,16-17,24H,8-9H2,1-7H3/t12-,13+,16+,17?/m1/s1
• InChIKey: QIYVWBPJDJNBMC-RSRICPHOSA-N
• XLogP: 5.29
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	540.73
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11364714) is tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)c1csc([C@@H]2CSC(c3csc([C@@H]4[C@@H](C)OC(C)(C)N4C(=O)OC(C)(C)C)n3)N2)n1.

What is the InChIKey of tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is QIYVWBPJDJNBMC-RSRICPHOSA-N. The full InChI is InChI=1S/C23H32N4O5S3/c1-8-30-20(28)15-11-34-18(26-15)13-9-33-17(24-13)14-10-35-19(25-14)16-12(2)31-23(6,7)27(16)21(29)32-22(3,4)5/h10-13,16-17,24H,8-9H2,1-7H3/t12-,13+,16+,17?/m1/s1.

What are the key properties of tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 540.73 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5R)-4-[4-[(4S)-4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-1,3-thiazolidin-2-yl]-1,3-thiazol-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11364714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).