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

C11H11N3O2S — CID 3591995

IUPAC6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC1
InChIInChI=1S/C11H11N3O2S/c15-9(13-3-1-2-4-13)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,1-4H2
InChIKeyPJNXBNXHXJJRDU-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.99
Rot. Bonds1

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

6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3591995) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3591995
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC1
InChIInChI=1S/C11H11N3O2S/c15-9(13-3-1-2-4-13)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,1-4H2
InChIKeyPJNXBNXHXJJRDU-UHFFFAOYSA-N
XLogP0.99
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 1482416
5-oxo-N-prop-2-enyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4448532
6-[3-(dimethylamino)acryloyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 1482427
N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
Pyrrolidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379279
Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2739554
5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767104
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
2,3-dimethyl-6-(1-pyrrolidinylcarbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17715959
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3591995) is 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCC1.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PJNXBNXHXJJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9(13-3-1-2-4-13)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,1-4H2.
What are the key properties of 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 249.29 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3591995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).