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

C11H14N2O3S — CID 11536172

IUPACethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
SMILESCCOC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(15)5-8-6-17-11-12-7(2)4-9(14)13(8)11/h4,8H,3,5-6H2,1-2H3
InChIKeyBOAOSOISHSMJJG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.15
Rot. Bonds3

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

ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate (PubChem CID 11536172) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
PubChem CID11536172
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
SMILESCCOC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(15)5-8-6-17-11-12-7(2)4-9(14)13(8)11/h4,8H,3,5-6H2,1-2H3
InChIKeyBOAOSOISHSMJJG-UHFFFAOYSA-N
XLogP1.15
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate (CID 11536172) is ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate is CCOC(=O)CC1CSc2nc(C)cc(=O)n21.
What is the InChIKey of ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The InChIKey is BOAOSOISHSMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-16-10(15)5-8-6-17-11-12-7(2)4-9(14)13(8)11/h4,8H,3,5-6H2,1-2H3.
What are the key properties of ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate has a molecular weight of 254.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate is sourced from PubChem (CID 11536172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).