3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N3O3S — CID 126470501

IUPAC3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1csc2ncc(C(=O)N3CCC(O)C3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-8-22-14-16-6-10(13(21)18(11)14)12(20)17-5-4-9(19)7-17/h6,8-9,19H,4-5,7H2,1-3H3
InChIKeyACOFCQLSMQSNRA-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.26
Rot. Bonds1

About 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470501) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470501
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1csc2ncc(C(=O)N3CCC(O)C3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-8-22-14-16-6-10(13(21)18(11)14)12(20)17-5-4-9(19)7-17/h6,8-9,19H,4-5,7H2,1-3H3
InChIKeyACOFCQLSMQSNRA-UHFFFAOYSA-N
XLogP1.26
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[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 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470501) is 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)(C)c1csc2ncc(C(=O)N3CCC(O)C3)c(=O)n12.
What is the InChIKey of 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ACOFCQLSMQSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2,3)11-8-22-14-16-6-10(13(21)18(11)14)12(20)17-5-4-9(19)7-17/h6,8-9,19H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.40 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).