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

C13H17N4O2S+ — CID 2419349

IUPAC1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](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)/p+1
InChIKeyGTUXBAVIRXZPSE-UHFFFAOYSA-O
MW293.37 g/mol
LogP-0.96
Rot. Bonds3

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 2419349) has the molecular formula C13H17N4O2S+ and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID2419349
Molecular FormulaC13H17N4O2S+
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](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)/p+1
InChIKeyGTUXBAVIRXZPSE-UHFFFAOYSA-O
XLogP-0.96
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide (CID 2419349) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is GTUXBAVIRXZPSE-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide?
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 2419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).