6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15N3O2S2 — CID 126471053

IUPAC6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCSC3(C)C)cnc2s1
InChIInChI=1S/C13H15N3O2S2/c1-8-7-15-10(17)9(6-14-12(15)20-8)11(18)16-4-5-19-13(16,2)3/h6-7H,4-5H2,1-3H3
InChIKeyKVWLDKOXHVTLBA-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.99
Rot. Bonds1

About 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126471053) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126471053
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCSC3(C)C)cnc2s1
InChIInChI=1S/C13H15N3O2S2/c1-8-7-15-10(17)9(6-14-12(15)20-8)11(18)16-4-5-19-13(16,2)3/h6-7H,4-5H2,1-3H3
InChIKeyKVWLDKOXHVTLBA-UHFFFAOYSA-N
XLogP1.99
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one 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 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126471053) is 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3CCSC3(C)C)cnc2s1.
What is the InChIKey of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KVWLDKOXHVTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8-7-15-10(17)9(6-14-12(15)20-8)11(18)16-4-5-19-13(16,2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.42 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126471053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).