[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C13H14N2O4S2 — CID 8850626

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O4S2/c1-9-8-21-13(18)15(9)6-12(17)19-7-11(16)14-5-10-3-2-4-20-10/h2-4,8H,5-7H2,1H3,(H,14,16)
InChIKeyAUKHVADBOVVUKT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.14
Rot. Bonds6

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8850626) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8850626
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O4S2/c1-9-8-21-13(18)15(9)6-12(17)19-7-11(16)14-5-10-3-2-4-20-10/h2-4,8H,5-7H2,1H3,(H,14,16)
InChIKeyAUKHVADBOVVUKT-UHFFFAOYSA-N
XLogP1.14
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8850626) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is AUKHVADBOVVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-8-21-13(18)15(9)6-12(17)19-7-11(16)14-5-10-3-2-4-20-10/h2-4,8H,5-7H2,1H3,(H,14,16).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 326.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8850626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).