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

C9H12N2O4S — CID 27682349

IUPACmethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H12N2O4S/c1-6-5-16-9(14)11(6)4-7(12)10-3-8(13)15-2/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyQGHGHGCKHQNLSL-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.49
Rot. Bonds4

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

methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (PubChem CID 27682349) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
PubChem CID27682349
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H12N2O4S/c1-6-5-16-9(14)11(6)4-7(12)10-3-8(13)15-2/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyQGHGHGCKHQNLSL-UHFFFAOYSA-N
XLogP-0.49
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate 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 methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (CID 27682349) is methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The InChIKey is QGHGHGCKHQNLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6-5-16-9(14)11(6)4-7(12)10-3-8(13)15-2/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate has a molecular weight of 244.27 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 27682349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).