7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17N3OS — CID 70502338

IUPAC7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CC(c1cc(=O)n2ccsc2n1)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c1-2-12(16-6-4-3-5-7-16)11-10-13(18)17-8-9-19-14(17)15-11/h2,8-10,12H,1,3-7H2
InChIKeyIAFFUAWAJFTKFJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.47
Rot. Bonds3

About 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70502338) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID70502338
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CC(c1cc(=O)n2ccsc2n1)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c1-2-12(16-6-4-3-5-7-16)11-10-13(18)17-8-9-19-14(17)15-11/h2,8-10,12H,1,3-7H2
InChIKeyIAFFUAWAJFTKFJ-UHFFFAOYSA-N
XLogP2.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70502338) is 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C=CC(c1cc(=O)n2ccsc2n1)N1CCCCC1.
What is the InChIKey of 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IAFFUAWAJFTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-12(16-6-4-3-5-7-16)11-10-13(18)17-8-9-19-14(17)15-11/h2,8-10,12H,1,3-7H2.
What are the key properties of 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 275.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-piperidin-1-ylprop-2-enyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70502338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).