2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

C6H8F2N2O2S — CID 59994597

IUPAC2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESO=C1NC[C@H](CNC(=S)C(F)F)O1
InChIInChI=1S/C6H8F2N2O2S/c7-4(8)5(13)9-1-3-2-10-6(11)12-3/h3-4H,1-2H2,(H,9,13)(H,10,11)/t3-/m0/s1
InChIKeyJOIGUZSSMASTIF-VKHMYHEASA-N
MW210.20 g/mol
LogP0.28
Rot. Bonds3

About 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (PubChem CID 59994597) has the molecular formula C6H8F2N2O2S and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
PubChem CID59994597
Molecular FormulaC6H8F2N2O2S
Molecular Weight210.20 g/mol
Exact Mass210.03
IUPAC Name2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESO=C1NC[C@H](CNC(=S)C(F)F)O1
InChIInChI=1S/C6H8F2N2O2S/c7-4(8)5(13)9-1-3-2-10-6(11)12-3/h3-4H,1-2H2,(H,9,13)(H,10,11)/t3-/m0/s1
InChIKeyJOIGUZSSMASTIF-VKHMYHEASA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The IUPAC name of 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (CID 59994597) is 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.
What is the SMILES notation for 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The canonical SMILES for 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is O=C1NC[C@H](CNC(=S)C(F)F)O1.
What is the InChIKey of 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The InChIKey is JOIGUZSSMASTIF-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8F2N2O2S/c7-4(8)5(13)9-1-3-2-10-6(11)12-3/h3-4H,1-2H2,(H,9,13)(H,10,11)/t3-/m0/s1.
What are the key properties of 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide has a molecular weight of 210.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is sourced from PubChem (CID 59994597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).