methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

C12H14N2O4S — CID 61353973

IUPACmethyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCOC2=O)sc2c1CCNC2
InChIInChI=1S/C12H14N2O4S/c1-17-11(15)9-7-2-3-13-6-8(7)19-10(9)14-4-5-18-12(14)16/h13H,2-6H2,1H3
InChIKeyZATIBZMAOZBANN-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 61353973) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID61353973
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Namemethyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCOC2=O)sc2c1CCNC2
InChIInChI=1S/C12H14N2O4S/c1-17-11(15)9-7-2-3-13-6-8(7)19-10(9)14-4-5-18-12(14)16/h13H,2-6H2,1H3
InChIKeyZATIBZMAOZBANN-UHFFFAOYSA-N
XLogP1.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CID 61353973) is methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(N2CCOC2=O)sc2c1CCNC2.
What is the InChIKey of methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is ZATIBZMAOZBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-17-11(15)9-7-2-3-13-6-8(7)19-10(9)14-4-5-18-12(14)16/h13H,2-6H2,1H3.
What are the key properties of methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 61353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).