ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C9H10N2O3S — CID 641871

IUPACethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H10N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h5H,2-4H2,1H3
InChIKeyHYGPOYRIGOMNSV-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.53
Rot. Bonds2

About ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 641871) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID641871
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Nameethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H10N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h5H,2-4H2,1H3
InChIKeyHYGPOYRIGOMNSV-UHFFFAOYSA-N
XLogP0.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 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 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 641871) is ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is HYGPOYRIGOMNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h5H,2-4H2,1H3.
What are the key properties of ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 226.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 641871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).