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

C13H20N2O4S — CID 61007718

IUPACethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-4-6-14(8-12(17)19-5-2)11(16)7-15-10(3)9-20-13(15)18/h9H,4-8H2,1-3H3
InChIKeyXBXWNLNUHKYMLM-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.02
Rot. Bonds7

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

ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate (PubChem CID 61007718) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate
PubChem CID61007718
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-4-6-14(8-12(17)19-5-2)11(16)7-15-10(3)9-20-13(15)18/h9H,4-8H2,1-3H3
InChIKeyXBXWNLNUHKYMLM-UHFFFAOYSA-N
XLogP1.02
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
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]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate (CID 61007718) is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate?
The InChIKey is XBXWNLNUHKYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-6-14(8-12(17)19-5-2)11(16)7-15-10(3)9-20-13(15)18/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate?
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate has a molecular weight of 300.38 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 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]-propylamino]acetate is sourced from PubChem (CID 61007718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).