3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H23N3O2S — CID 126469333

IUPAC3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-15(2,3)9-18-12(20)10-7-17-14-19(13(10)21)11(8-22-14)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,20)
InChIKeyOKTGPJODUAASCX-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.83
Rot. Bonds2

About 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469333) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469333
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-15(2,3)9-18-12(20)10-7-17-14-19(13(10)21)11(8-22-14)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,20)
InChIKeyOKTGPJODUAASCX-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469333) is 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)CNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OKTGPJODUAASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-15(2,3)9-18-12(20)10-7-17-14-19(13(10)21)11(8-22-14)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,20).
What are the key properties of 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).