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

C15H21N3O4S — CID 16868437

IUPACethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(=O)OCC
InChIInChI=1S/C15H21N3O4S/c1-3-5-10-6-13(20)18-11(9-23-15(18)17-10)7-12(19)16-8-14(21)22-4-2/h6,11H,3-5,7-9H2,1-2H3,(H,16,19)
InChIKeyNDOFUQFDOWKRCC-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.91
Rot. Bonds7

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

ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16868437) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
PubChem CID16868437
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Nameethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(=O)OCC
InChIInChI=1S/C15H21N3O4S/c1-3-5-10-6-13(20)18-11(9-23-15(18)17-10)7-12(19)16-8-14(21)22-4-2/h6,11H,3-5,7-9H2,1-2H3,(H,16,19)
InChIKeyNDOFUQFDOWKRCC-UHFFFAOYSA-N
XLogP0.91
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate with MolForge

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Related Compounds

Ethyl 2-{2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}acetate
CID 135561542
Ethyl 2-(2-((4-(2-(cyclopropylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamido)acetate
CID 135952901
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
N-(1-methoxypropan-2-yl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868625
Ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
CID 11522014
ethyl 2-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamido)acetate
CID 16867751
ethyl 2-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamido)acetate
CID 16867908
ethyl 2-(2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamido)acetate
CID 16868071
N-ethyl-2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868233
2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 16868234
N-butyl-2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868235
2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-isopropylacetamide
CID 16868236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16868437) is ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is CCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The InChIKey is NDOFUQFDOWKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-5-10-6-13(20)18-11(9-23-15(18)17-10)7-12(19)16-8-14(21)22-4-2/h6,11H,3-5,7-9H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(5-oxo-7-propyl-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 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16868437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).