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

C11H16N2O4S — CID 55008334

IUPACethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-4-17-10(15)6-12(3)9(14)5-13-8(2)7-18-11(13)16/h7H,4-6H2,1-3H3
InChIKeyVQNUQKLEFGNEFP-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.24
Rot. Bonds5

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

ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (PubChem CID 55008334) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
PubChem CID55008334
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-4-17-10(15)6-12(3)9(14)5-13-8(2)7-18-11(13)16/h7H,4-6H2,1-3H3
InChIKeyVQNUQKLEFGNEFP-UHFFFAOYSA-N
XLogP0.24
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 81297878
[2-[Ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8472013
[2-Oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8472147
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 27682349
Cyanomethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30249740
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 40702878
Methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 43213839
Ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 43214089
2-[Methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43356325
Methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate
CID 43407678
Methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 43408823
2-[4-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (CID 55008334) is ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The InChIKey is VQNUQKLEFGNEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-4-17-10(15)6-12(3)9(14)5-13-8(2)7-18-11(13)16/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 55008334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).