2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C13H17N3O3S — CID 16867754

IUPAC2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NCC1CCCO1
InChIInChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17)
InChIKeyZTEPIJFKCSWPGA-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.58
Rot. Bonds4

About 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16867754) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16867754
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NCC1CCCO1
InChIInChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17)
InChIKeyZTEPIJFKCSWPGA-UHFFFAOYSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16867754) is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CC1CSc2nccc(=O)n21)NCC1CCCO1.
What is the InChIKey of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZTEPIJFKCSWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(15-7-10-2-1-5-19-10)6-9-8-20-13-14-4-3-12(18)16(9)13/h3-4,9-10H,1-2,5-8H2,(H,15,17).
What are the key properties of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 295.36 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 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16867754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).