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

C10H14N2O4S — CID 47257384

IUPACethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-3-16-9(14)4-11-8(13)5-12-7(2)6-17-10(12)15/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyLVFZLZLXNKAEIV-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.10
Rot. Bonds5

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

ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (PubChem CID 47257384) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
PubChem CID47257384
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-3-16-9(14)4-11-8(13)5-12-7(2)6-17-10(12)15/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyLVFZLZLXNKAEIV-UHFFFAOYSA-N
XLogP-0.10
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (CID 47257384) is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The InChIKey is LVFZLZLXNKAEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-16-9(14)4-11-8(13)5-12-7(2)6-17-10(12)15/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate has a molecular weight of 258.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 47257384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).