ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

C15H21N3O4S — CID 16869197

IUPACethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(C)c(CC)c(=O)n21
InChIInChI=1S/C15H21N3O4S/c1-4-11-9(3)17-15-18(14(11)21)10(8-23-15)6-12(19)16-7-13(20)22-5-2/h10H,4-8H2,1-3H3,(H,16,19)
InChIKeyBHYLHSWPVAHHLJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.83
Rot. Bonds6

About ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate

ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16869197) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
PubChem CID16869197
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Nameethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(C)c(CC)c(=O)n21
InChIInChI=1S/C15H21N3O4S/c1-4-11-9(3)17-15-18(14(11)21)10(8-23-15)6-12(19)16-7-13(20)22-5-2/h10H,4-8H2,1-3H3,(H,16,19)
InChIKeyBHYLHSWPVAHHLJ-UHFFFAOYSA-N
XLogP0.83
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16869197) is ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1CSc2nc(C)c(CC)c(=O)n21.
What is the InChIKey of ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The InChIKey is BHYLHSWPVAHHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-4-11-9(3)17-15-18(14(11)21)10(8-23-15)6-12(19)16-7-13(20)22-5-2/h10H,4-8H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate has a molecular weight of 339.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16869197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).