2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

C14H21N3O2S — CID 16868614

IUPAC2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C14H21N3O2S/c1-4-5-15-12(18)6-10-8-20-14-16-11(9(2)3)7-13(19)17(10)14/h7,9-10H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyZKJLGOKACKUWHU-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.93
Rot. Bonds5

About 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 16868614) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID16868614
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C14H21N3O2S/c1-4-5-15-12(18)6-10-8-20-14-16-11(9(2)3)7-13(19)17(10)14/h7,9-10H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyZKJLGOKACKUWHU-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 16868614) is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is ZKJLGOKACKUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-5-15-12(18)6-10-8-20-14-16-11(9(2)3)7-13(19)17(10)14/h7,9-10H,4-6,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 16868614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).