N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

C16H20N4O3S — CID 58619710

IUPACN-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NC[C@H]1CN(c2ccc(N3CC(=O)N(C)C3)cc2)C(=O)O1
InChIInChI=1S/C16H20N4O3S/c1-11(24)17-7-14-8-20(16(22)23-14)13-5-3-12(4-6-13)19-9-15(21)18(2)10-19/h3-6,14H,7-10H2,1-2H3,(H,17,24)/t14-/m0/s1
InChIKeyQLAPJYGAVHUHJT-AWEZNQCLSA-N
MW348.43 g/mol
LogP1.18
Rot. Bonds4

About N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (PubChem CID 58619710) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
PubChem CID58619710
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NC[C@H]1CN(c2ccc(N3CC(=O)N(C)C3)cc2)C(=O)O1
InChIInChI=1S/C16H20N4O3S/c1-11(24)17-7-14-8-20(16(22)23-14)13-5-3-12(4-6-13)19-9-15(21)18(2)10-19/h3-6,14H,7-10H2,1-2H3,(H,17,24)/t14-/m0/s1
InChIKeyQLAPJYGAVHUHJT-AWEZNQCLSA-N
XLogP1.18
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-2-oxo-3-[4-(1-oxo-1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 59960341
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740720
N-[[3-(3,4-dihydro-1H-isothiochromen-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10268088
diethyl 6-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-ethylazulene-1,3-dicarboxylate
CID 143555247
N-[[(5S)-3-[3-fluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58781031
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 22181722
N-[[(5S)-3-[3-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5S)-3-[4-[4-(2-aminoethanethioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10049961

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The IUPAC name of N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (CID 58619710) is N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.
What is the SMILES notation for N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The canonical SMILES for N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is CC(=S)NC[C@H]1CN(c2ccc(N3CC(=O)N(C)C3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The InChIKey is QLAPJYGAVHUHJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(24)17-7-14-8-20(16(22)23-14)13-5-3-12(4-6-13)19-9-15(21)18(2)10-19/h3-6,14H,7-10H2,1-2H3,(H,17,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide has a molecular weight of 348.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(3-methyl-4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is sourced from PubChem (CID 58619710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).