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

C10H10N2O3S — CID 7540596

IUPACethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C10H10N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)5-6(2)16-10/h4-5H,3H2,1-2H3
InChIKeyJIBYMLUIGWBXJR-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.24
Rot. Bonds2

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

ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 7540596) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID7540596
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C10H10N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)5-6(2)16-10/h4-5H,3H2,1-2H3
InChIKeyJIBYMLUIGWBXJR-UHFFFAOYSA-N
XLogP1.24
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-methyl-5-oxo-[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 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 7540596) is ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2sc(C)cn2c1=O.
What is the InChIKey of ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is JIBYMLUIGWBXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)5-6(2)16-10/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 7540596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).