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

C14H16N2O4S — CID 23908643

IUPACmethyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C14H16N2O4S/c1-20-13(19)7-15-11(17)8-16-12(18)9-21-14(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,15,17)
InChIKeyKFGMDMUZOFAQNO-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.55
Rot. Bonds5

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

methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate (PubChem CID 23908643) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
PubChem CID23908643
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C14H16N2O4S/c1-20-13(19)7-15-11(17)8-16-12(18)9-21-14(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,15,17)
InChIKeyKFGMDMUZOFAQNO-UHFFFAOYSA-N
XLogP0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate (CID 23908643) is methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate is COC(=O)CNC(=O)CN1C(=O)CSC1c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The InChIKey is KFGMDMUZOFAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-20-13(19)7-15-11(17)8-16-12(18)9-21-14(16)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate has a molecular weight of 308.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 23908643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).