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

C12H13N3O2S — CID 3591996

IUPAC6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCCC1
InChIInChI=1S/C12H13N3O2S/c16-10(14-4-2-1-3-5-14)9-8-13-12-15(11(9)17)6-7-18-12/h6-8H,1-5H2
InChIKeyHXNHCQKYAPOTQK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.38
Rot. Bonds1

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

6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3591996) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3591996
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCCC1
InChIInChI=1S/C12H13N3O2S/c16-10(14-4-2-1-3-5-14)9-8-13-12-15(11(9)17)6-7-18-12/h6-8H,1-5H2
InChIKeyHXNHCQKYAPOTQK-UHFFFAOYSA-N
XLogP1.38
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3591996) is 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCCC1.
What is the InChIKey of 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HXNHCQKYAPOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-10(14-4-2-1-3-5-14)9-8-13-12-15(11(9)17)6-7-18-12/h6-8H,1-5H2.
What are the key properties of 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3591996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).