methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate

C12H11N3O4S2 — CID 23242084

IUPACmethyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H11N3O4S2/c1-19-11(18)8-5-20-6-15(8)10(17)7-4-13-12-14(9(7)16)2-3-21-12/h2-4,8H,5-6H2,1H3
InChIKeyWISXNGVFADWVKL-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.44
Rot. Bonds2

About methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate

methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 23242084) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID23242084
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Namemethyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H11N3O4S2/c1-19-11(18)8-5-20-6-15(8)10(17)7-4-13-12-14(9(7)16)2-3-21-12/h2-4,8H,5-6H2,1H3
InChIKeyWISXNGVFADWVKL-UHFFFAOYSA-N
XLogP0.44
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-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 methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate (CID 23242084) is methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is WISXNGVFADWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-19-11(18)8-5-20-6-15(8)10(17)7-4-13-12-14(9(7)16)2-3-21-12/h2-4,8H,5-6H2,1H3.
What are the key properties of methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 23242084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).