methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C26H26FN5O5S2 — CID 11353633

About methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 11353633) has the molecular formula C26H26FN5O5S2 and a molecular weight of 571.66 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 11353633
• Molecular Formula: C26H26FN5O5S2
• Molecular Weight: 571.66 g/mol
• Exact Mass: 571.14
• IUPAC Name: methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: COC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(/C=C5/SC(=S)NC5=O)cc4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H26FN5O5S2/c1-36-24(34)28-14-19-15-32(26(35)37-19)18-6-7-21(20(27)13-18)31-10-8-30(9-11-31)17-4-2-16(3-5-17)12-22-23(33)29-25(38)39-22/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,28,34)(H,29,33,38)/b22-12+/t19-/m0/s1
• InChIKey: CZQREEQACJJQBJ-OZNZCJATSA-N
• XLogP: 3.32
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.66
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 11353633) is methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(/C=C5/SC(=S)NC5=O)cc4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is CZQREEQACJJQBJ-OZNZCJATSA-N. The full InChI is InChI=1S/C26H26FN5O5S2/c1-36-24(34)28-14-19-15-32(26(35)37-19)18-6-7-21(20(27)13-18)31-10-8-30(9-11-31)17-4-2-16(3-5-17)12-22-23(33)29-25(38)39-22/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,28,34)(H,29,33,38)/b22-12+/t19-/m0/s1.

What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 571.66 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 11353633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).