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

C15H21N3O2S — CID 16868394

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2S/c1-2-5-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17-6-3-4-7-17/h8,12H,2-7,9-10H2,1H3
InChIKeyNUWKJKDCTHIAPM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.86
Rot. Bonds4

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

3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868394) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868394
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2S/c1-2-5-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17-6-3-4-7-17/h8,12H,2-7,9-10H2,1H3
InChIKeyNUWKJKDCTHIAPM-UHFFFAOYSA-N
XLogP1.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868394) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NUWKJKDCTHIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-5-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17-6-3-4-7-17/h8,12H,2-7,9-10H2,1H3.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).