2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

C13H19N3O2S — CID 16868994

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C13H19N3O2S/c1-4-5-14-11(17)6-10-7-19-13-15-9(3)8(2)12(18)16(10)13/h10H,4-7H2,1-3H3,(H,14,17)
InChIKeyKLXXGOSQCJPNOO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.42
Rot. Bonds4

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 16868994) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID16868994
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C13H19N3O2S/c1-4-5-14-11(17)6-10-7-19-13-15-9(3)8(2)12(18)16(10)13/h10H,4-7H2,1-3H3,(H,14,17)
InChIKeyKLXXGOSQCJPNOO-UHFFFAOYSA-N
XLogP1.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 16868994) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is KLXXGOSQCJPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-5-14-11(17)6-10-7-19-13-15-9(3)8(2)12(18)16(10)13/h10H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 16868994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).