2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide

C13H17N3O2S — CID 16933467

IUPAC2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-9(5-2)11(17)15-10-8(3)14-13-16(12(10)18)6-7-19-13/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeyJIUCBTQEBVZIKI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds4

About 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide

2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (PubChem CID 16933467) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
PubChem CID16933467
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-9(5-2)11(17)15-10-8(3)14-13-16(12(10)18)6-7-19-13/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeyJIUCBTQEBVZIKI-UHFFFAOYSA-N
XLogP2.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The IUPAC name of 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (CID 16933467) is 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is CCC(CC)C(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The InChIKey is JIUCBTQEBVZIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-9(5-2)11(17)15-10-8(3)14-13-16(12(10)18)6-7-19-13/h6-7,9H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide has a molecular weight of 279.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 16933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).