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

C17H24N4O2S — CID 126469350

IUPAC3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)13-11-24-16-19-10-12(15(23)21(13)16)14(22)18-6-9-20-7-4-5-8-20/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyHVXBLHCKHIIUGY-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.88
Rot. Bonds4

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

3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469350) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469350
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)13-11-24-16-19-10-12(15(23)21(13)16)14(22)18-6-9-20-7-4-5-8-20/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyHVXBLHCKHIIUGY-UHFFFAOYSA-N
XLogP1.88
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469350) is 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)c1csc2ncc(C(=O)NCCN3CCCC3)c(=O)n12.
What is the InChIKey of 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HVXBLHCKHIIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,3)13-11-24-16-19-10-12(15(23)21(13)16)14(22)18-6-9-20-7-4-5-8-20/h10-11H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).