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

C14H19N3O4S — CID 16869007

IUPACethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C14H19N3O4S/c1-4-21-12(19)6-15-11(18)5-10-7-22-14-16-9(3)8(2)13(20)17(10)14/h10H,4-7H2,1-3H3,(H,15,18)
InChIKeyMCTYOFPMVDEAPP-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.58
Rot. Bonds5

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

ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (PubChem CID 16869007) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
PubChem CID16869007
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Nameethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C14H19N3O4S/c1-4-21-12(19)6-15-11(18)5-10-7-22-14-16-9(3)8(2)13(20)17(10)14/h10H,4-7H2,1-3H3,(H,15,18)
InChIKeyMCTYOFPMVDEAPP-UHFFFAOYSA-N
XLogP0.58
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate (CID 16869007) is ethyl 2-[[2-(6,7-dimethyl-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-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(6,7-dimethyl-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(C)c(=O)n21.
What is the InChIKey of ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
The InChIKey is MCTYOFPMVDEAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-21-12(19)6-15-11(18)5-10-7-22-14-16-9(3)8(2)13(20)17(10)14/h10H,4-7H2,1-3H3,(H,15,18).
What are the key properties of ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(6,7-dimethyl-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 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 16869007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).