N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H24FN5O5S — CID 155532476

About N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155532476) has the molecular formula C22H24FN5O5S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 155532476
• Molecular Formula: C22H24FN5O5S
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.15
• IUPAC Name: N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=N/N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H24FN5O5S/c1-15(29)24-13-19-14-28(22(30)33-19)18-4-5-20(21(23)10-18)16-2-3-17(25-11-16)12-26-27-6-8-34(31,32)9-7-27/h2-5,10-12,19H,6-9,13-14H2,1H3,(H,24,29)/b26-12+/t19-/m0/s1
• InChIKey: UVAXIRWDQGJIDM-XDWZDTHNSA-N
• XLogP: 1.41
• TPSA: 121.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155532476) is N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=N/N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is UVAXIRWDQGJIDM-XDWZDTHNSA-N. The full InChI is InChI=1S/C22H24FN5O5S/c1-15(29)24-13-19-14-28(22(30)33-19)18-4-5-20(21(23)10-18)16-2-3-17(25-11-16)12-26-27-6-8-34(31,32)9-7-27/h2-5,10-12,19H,6-9,13-14H2,1H3,(H,24,29)/b26-12+/t19-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 489.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155532476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).