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

C11H15N3O2S — CID 16867738

IUPAC2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C11H15N3O2S/c1-2-4-12-9(15)6-8-7-17-11-13-5-3-10(16)14(8)11/h3,5,8H,2,4,6-7H2,1H3,(H,12,15)
InChIKeyAHRICXAGBNCBKQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.81
Rot. Bonds4

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

2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 16867738) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID16867738
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C11H15N3O2S/c1-2-4-12-9(15)6-8-7-17-11-13-5-3-10(16)14(8)11/h3,5,8H,2,4,6-7H2,1H3,(H,12,15)
InChIKeyAHRICXAGBNCBKQ-UHFFFAOYSA-N
XLogP0.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propylacetamide?
The IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 16867738) is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)CC1CSc2nccc(=O)n21.
What is the InChIKey of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is AHRICXAGBNCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-4-12-9(15)6-8-7-17-11-13-5-3-10(16)14(8)11/h3,5,8H,2,4,6-7H2,1H3,(H,12,15).
What are the key properties of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 253.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-propylacetamide is sourced from PubChem (CID 16867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).