2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial

C16H19FN4O3S — CID 87824623

IUPAC2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial
SMILESCN1CCN(c2ccc(N3C[C@H](CNCC=S)OC3=O)cc2F)C1=O
InChIInChI=1S/C16H19FN4O3S/c1-19-5-6-20(15(19)22)14-3-2-11(8-13(14)17)21-10-12(24-16(21)23)9-18-4-7-25/h2-3,7-8,12,18H,4-6,9-10H2,1H3/t12-/m0/s1
InChIKeySYONFGZTXONWBV-LBPRGKRZSA-N
MW366.42 g/mol
LogP1.61
Rot. Bonds6

About 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial

2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial (PubChem CID 87824623) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial.

Molecular Properties

Compound Name2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial
PubChem CID87824623
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial
SMILESCN1CCN(c2ccc(N3C[C@H](CNCC=S)OC3=O)cc2F)C1=O
InChIInChI=1S/C16H19FN4O3S/c1-19-5-6-20(15(19)22)14-3-2-11(8-13(14)17)21-10-12(24-16(21)23)9-18-4-7-25/h2-3,7-8,12,18H,4-6,9-10H2,1H3/t12-/m0/s1
InChIKeySYONFGZTXONWBV-LBPRGKRZSA-N
XLogP1.61
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-methyl N-[[3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 85140794
3-[3-fluoro-4-(3-methyl-2-sulfanylideneimidazolidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22181779
N-[[3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 22181722
5-ethyl-3-[3-fluoro-4-(3-methyl-2-sulfanylideneimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one;1-methoxypropane;N-methylmethanethioamide
CID 142150268
(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 71623676
2-[1-[2-fluoro-4-[2-oxo-5-[(prop-2-enylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperidin-4-ylidene]acetonitrile
CID 69315927
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
ethane;N-[[3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 145494793
N-[[(5S)-3-[3-fluoro-4-(2-sulfanylidene-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58619730
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;O-methyl methanethioate
CID 143963383
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[3-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial?
The IUPAC name of 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial (CID 87824623) is 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial.
What is the SMILES notation for 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial?
The canonical SMILES for 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial is CN1CCN(c2ccc(N3C[C@H](CNCC=S)OC3=O)cc2F)C1=O.
What is the InChIKey of 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial?
The InChIKey is SYONFGZTXONWBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-19-5-6-20(15(19)22)14-3-2-11(8-13(14)17)21-10-12(24-16(21)23)9-18-4-7-25/h2-3,7-8,12,18H,4-6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial?
2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial has a molecular weight of 366.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethanethial is sourced from PubChem (CID 87824623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).