(5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one

C22H26FN5O3S — CID 143415345

About (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 143415345) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 143415345
• Molecular Formula: C22H26FN5O3S
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.17
• IUPAC Name: (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
• SMILES: C=NN(C)C[C@H]1CN(c2ccc(-c3cnc(N4CCS(=O)CC4)c(C)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H26FN5O3S/c1-15-10-16(12-25-21(15)27-6-8-32(30)9-7-27)19-5-4-17(11-20(19)23)28-14-18(31-22(28)29)13-26(3)24-2/h4-5,10-12,18H,2,6-9,13-14H2,1,3H3/t18-/m0/s1
• InChIKey: QTDWEIJDEZLOAO-SFHVURJKSA-N
• XLogP: 2.64
• TPSA: 78.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one (CID 143415345) is (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one is C=NN(C)C[C@H]1CN(c2ccc(-c3cnc(N4CCS(=O)CC4)c(C)c3)c(F)c2)C(=O)O1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?

The InChIKey is QTDWEIJDEZLOAO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c1-15-10-16(12-25-21(15)27-6-8-32(30)9-7-27)19-5-4-17(11-20(19)23)28-14-18(31-22(28)29)13-26(3)24-2/h4-5,10-12,18H,2,6-9,13-14H2,1,3H3/t18-/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 459.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).