7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H23N3O2S — CID 16868774

IUPAC7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O2S/c1-16(2,3)12-9-14(21)19-11(10-22-15(19)17-12)8-13(20)18-6-4-5-7-18/h9,11H,4-8,10H2,1-3H3
InChIKeyPYOHIRLOBQJGDU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.20
Rot. Bonds2

About 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868774) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868774
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O2S/c1-16(2,3)12-9-14(21)19-11(10-22-15(19)17-12)8-13(20)18-6-4-5-7-18/h9,11H,4-8,10H2,1-3H3
InChIKeyPYOHIRLOBQJGDU-UHFFFAOYSA-N
XLogP2.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[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 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868774) is 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1.
What is the InChIKey of 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PYOHIRLOBQJGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2,3)12-9-14(21)19-11(10-22-15(19)17-12)8-13(20)18-6-4-5-7-18/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.45 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).