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

C15H21N3O2S — CID 90508342

IUPAC2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-4-11(5-2)14(20)16-7-6-12-9-21-15-17-10(3)8-13(19)18(12)15/h8-9,11H,4-7H2,1-3H3,(H,16,20)
InChIKeyRFIQMJLJRXPIJE-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.16
Rot. Bonds6

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

2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide (PubChem CID 90508342) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
PubChem CID90508342
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-4-11(5-2)14(20)16-7-6-12-9-21-15-17-10(3)8-13(19)18(12)15/h8-9,11H,4-7H2,1-3H3,(H,16,20)
InChIKeyRFIQMJLJRXPIJE-UHFFFAOYSA-N
XLogP2.16
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide (CID 90508342) is 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1csc2nc(C)cc(=O)n12.
What is the InChIKey of 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The InChIKey is RFIQMJLJRXPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-11(5-2)14(20)16-7-6-12-9-21-15-17-10(3)8-13(19)18(12)15/h8-9,11H,4-7H2,1-3H3,(H,16,20).
What are the key properties of 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide is sourced from PubChem (CID 90508342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).