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

C13H17N3O2S — CID 53019443

IUPACN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2scc(CC)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-6-10(17)15-11-8(3)14-13-16(12(11)18)9(5-2)7-19-13/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyMNTRQVMIJMQHCK-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (PubChem CID 53019443) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
PubChem CID53019443
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2scc(CC)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-6-10(17)15-11-8(3)14-13-16(12(11)18)9(5-2)7-19-13/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyMNTRQVMIJMQHCK-UHFFFAOYSA-N
XLogP2.37
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (CID 53019443) is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The canonical SMILES for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is CCCC(=O)Nc1c(C)nc2scc(CC)n2c1=O.
What is the InChIKey of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The InChIKey is MNTRQVMIJMQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-6-10(17)15-11-8(3)14-13-16(12(11)18)9(5-2)7-19-13/h7H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide has a molecular weight of 279.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 53019443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).