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

C14H19N3O4S — CID 16868247

IUPACethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(CC)cc(=O)n21
InChIInChI=1S/C14H19N3O4S/c1-3-9-5-12(19)17-10(8-22-14(17)16-9)6-11(18)15-7-13(20)21-4-2/h5,10H,3-4,6-8H2,1-2H3,(H,15,18)
InChIKeyBZCBYBDMPCNJRG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.52
Rot. Bonds6

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

ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16868247) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
PubChem CID16868247
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Nameethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(CC)cc(=O)n21
InChIInChI=1S/C14H19N3O4S/c1-3-9-5-12(19)17-10(8-22-14(17)16-9)6-11(18)15-7-13(20)21-4-2/h5,10H,3-4,6-8H2,1-2H3,(H,15,18)
InChIKeyBZCBYBDMPCNJRG-UHFFFAOYSA-N
XLogP0.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16868247) is ethyl 2-[[2-(7-ethyl-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-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1CSc2nc(CC)cc(=O)n21.
What is the InChIKey of ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The InChIKey is BZCBYBDMPCNJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-3-9-5-12(19)17-10(8-22-14(17)16-9)6-11(18)15-7-13(20)21-4-2/h5,10H,3-4,6-8H2,1-2H3,(H,15,18).
What are the key properties of ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate has a molecular weight of 325.39 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16868247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).