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

C13H16N4O2S — CID 46363943

IUPAC5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H16N4O2S/c18-11(14-3-6-16-4-1-2-5-16)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,1-6H2,(H,14,18)
InChIKeyIQHRJYVTAYOYOO-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.58
Rot. Bonds4

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

5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363943) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363943
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H16N4O2S/c18-11(14-3-6-16-4-1-2-5-16)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,1-6H2,(H,14,18)
InChIKeyIQHRJYVTAYOYOO-UHFFFAOYSA-N
XLogP0.58
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363943) is 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCN1CCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IQHRJYVTAYOYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-11(14-3-6-16-4-1-2-5-16)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,1-6H2,(H,14,18).
What are the key properties of 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).