ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate

C10H12N2O4S — CID 10801048

IUPACethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2NC(=O)O[C@@H]2C)n1
InChIInChI=1S/C10H12N2O4S/c1-3-15-9(13)6-4-17-8(11-6)7-5(2)16-10(14)12-7/h4-5,7H,3H2,1-2H3,(H,12,14)/t5-,7+/m1/s1
InChIKeyNKTWCIMCZWYRRT-VDTYLAMSSA-N
MW256.28 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 10801048) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID10801048
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Nameethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2NC(=O)O[C@@H]2C)n1
InChIInChI=1S/C10H12N2O4S/c1-3-15-9(13)6-4-17-8(11-6)7-5(2)16-10(14)12-7/h4-5,7H,3H2,1-2H3,(H,12,14)/t5-,7+/m1/s1
InChIKeyNKTWCIMCZWYRRT-VDTYLAMSSA-N
XLogP1.49
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate (CID 10801048) is ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@H]2NC(=O)O[C@@H]2C)n1.
What is the InChIKey of ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is NKTWCIMCZWYRRT-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-3-15-9(13)6-4-17-8(11-6)7-5(2)16-10(14)12-7/h4-5,7H,3H2,1-2H3,(H,12,14)/t5-,7+/m1/s1.
What are the key properties of ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 256.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10801048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).