ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate

C12H16N2O5S2 — CID 66858106

IUPACethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(SCCN2C(=O)OC[C@@H]2CO)n1
InChIInChI=1S/C12H16N2O5S2/c1-2-18-10(16)9-7-21-11(13-9)20-4-3-14-8(5-15)6-19-12(14)17/h7-8,15H,2-6H2,1H3/t8-/m0/s1
InChIKeyLFEAOVNTUUEXKZ-QMMMGPOBSA-N
MW332.40 g/mol
LogP1.23
Rot. Bonds7

About ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate (PubChem CID 66858106) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
PubChem CID66858106
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Nameethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(SCCN2C(=O)OC[C@@H]2CO)n1
InChIInChI=1S/C12H16N2O5S2/c1-2-18-10(16)9-7-21-11(13-9)20-4-3-14-8(5-15)6-19-12(14)17/h7-8,15H,2-6H2,1H3/t8-/m0/s1
InChIKeyLFEAOVNTUUEXKZ-QMMMGPOBSA-N
XLogP1.23
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-[(2R)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
CID 91353125
butyl 2-[2-[(2R)-2-[(3,5-dichloroanilino)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
CID 59752137
butyl 2-[2-[4-(4-hydroxy-4-methylnon-1-enyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
CID 77197691
ethyl 2-[2-[(2S,3R,5R)-5-chloro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
CID 126685103
ethyl 2-[2-[(1R,2S,3R,5S)-5-chloro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
CID 68771568
2-[2-[(2R)-2-[2-ethoxy-2-oxo-1-(piperidin-4-ylamino)ethyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 67412439
ethyl 2-[[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylate
CID 155950634
ethyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 168662155
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate
CID 146571193
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
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ethyl 2-(3,4-diacetyloxy-3,4-dihydro-2H-pyran-6-yl)-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate (CID 66858106) is ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(SCCN2C(=O)OC[C@@H]2CO)n1.
What is the InChIKey of ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate?
The InChIKey is LFEAOVNTUUEXKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-2-18-10(16)9-7-21-11(13-9)20-4-3-14-8(5-15)6-19-12(14)17/h7-8,15H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4S)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66858106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).