[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate

C15H15N3O5S2 — CID 135071781

IUPAC[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(CC(=O)c2csc([C@H]3NC(=O)O[C@@H]3C)n2)n1
InChIInChI=1S/C15H15N3O5S2/c1-7-13(18-15(21)23-7)14-17-10(6-25-14)11(20)3-12-16-9(5-24-12)4-22-8(2)19/h5-7,13H,3-4H2,1-2H3,(H,18,21)/t7-,13+/m1/s1
InChIKeyGOPQTIVMNXQWHJ-UHLUBPPHSA-N
MW381.44 g/mol
LogP2.26
Rot. Bonds6

About [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate

[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate (PubChem CID 135071781) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate
PubChem CID135071781
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Name[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(CC(=O)c2csc([C@H]3NC(=O)O[C@@H]3C)n2)n1
InChIInChI=1S/C15H15N3O5S2/c1-7-13(18-15(21)23-7)14-17-10(6-25-14)11(20)3-12-16-9(5-24-12)4-22-8(2)19/h5-7,13H,3-4H2,1-2H3,(H,18,21)/t7-,13+/m1/s1
InChIKeyGOPQTIVMNXQWHJ-UHLUBPPHSA-N
XLogP2.26
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate with MolForge

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Related Compounds

(4S,5R)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-5-methyl-1,3-oxazolidin-2-one
CID 10551651
Ethyl 2-(1-amino-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857331
Ethyl 2-(2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)acetyl)thiazole-4-carboxylate
CID 138857336
Ethyl 2-(1-imino-2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857344
Methyl 2-(1-azido-2-(2-(((tert-butoxycarbonyl)amino)methyl)thiazol-4-yl)-2-hydroxyethyl)thiazole-4-carboxylate
CID 138857345
Ethyl 2-(1-azido-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857348
Ethyl 2-(1-amino-2-(2-(((tert-butoxycarbonyl)amino)methyl)thiazol-4-yl)-2-hydroxyethyl)thiazole-4-carboxylate
CID 138857349
Ethyl 2-(1-((tert-butoxycarbonyl)amino)-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857351
Ethyl 2-(1-((tert-butoxycarbonyl)amino)-2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857352
Ethyl 2-((4S,5R)-5-methyl-2-oxooxazolidin-4-yl)thiazole-4-carboxylate
CID 10801048
ethyl 2-[(2R,5S)-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 11303571
ethyl 2-[(2R,5R)-5-(4-ethoxycarbonyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 11303572

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate (CID 135071781) is [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1csc(CC(=O)c2csc([C@H]3NC(=O)O[C@@H]3C)n2)n1.
What is the InChIKey of [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is GOPQTIVMNXQWHJ-UHLUBPPHSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-7-13(18-15(21)23-7)14-17-10(6-25-14)11(20)3-12-16-9(5-24-12)4-22-8(2)19/h5-7,13H,3-4H2,1-2H3,(H,18,21)/t7-,13+/m1/s1.
What are the key properties of [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate?
[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 381.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 135071781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).