5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H22N4O2S — CID 51652779

IUPAC5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc3sccn3c2=O)CC(C)(C)N1
InChIInChI=1S/C16H22N4O2S/c1-15(2)7-10(8-16(3,4)19-15)18-12(21)11-9-17-14-20(13(11)22)5-6-23-14/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,21)
InChIKeyCRJZDKQGGIMSGE-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.79
Rot. Bonds2

About 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51652779) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51652779
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc3sccn3c2=O)CC(C)(C)N1
InChIInChI=1S/C16H22N4O2S/c1-15(2)7-10(8-16(3,4)19-15)18-12(21)11-9-17-14-20(13(11)22)5-6-23-14/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,21)
InChIKeyCRJZDKQGGIMSGE-UHFFFAOYSA-N
XLogP1.79
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51652779) is 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1(C)CC(NC(=O)c2cnc3sccn3c2=O)CC(C)(C)N1.
What is the InChIKey of 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CRJZDKQGGIMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-15(2)7-10(8-16(3,4)19-15)18-12(21)11-9-17-14-20(13(11)22)5-6-23-14/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,21).
What are the key properties of 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51652779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).