1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

C13H16N4O2S — CID 2419350

IUPAC1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H16N4O2S/c14-12(19)9-1-3-16(4-2-9)8-10-7-11(18)17-5-6-20-13(17)15-10/h5-7,9H,1-4,8H2,(H2,14,19)
InChIKeyGTUXBAVIRXZPSE-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.45
Rot. Bonds3

About 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 2419350) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
PubChem CID2419350
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H16N4O2S/c14-12(19)9-1-3-16(4-2-9)8-10-7-11(18)17-5-6-20-13(17)15-10/h5-7,9H,1-4,8H2,(H2,14,19)
InChIKeyGTUXBAVIRXZPSE-UHFFFAOYSA-N
XLogP0.45
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide (CID 2419350) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GTUXBAVIRXZPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-12(19)9-1-3-16(4-2-9)8-10-7-11(18)17-5-6-20-13(17)15-10/h5-7,9H,1-4,8H2,(H2,14,19).
What are the key properties of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide?
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2419350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).