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

C14H19N3O2S — CID 53019426

IUPACN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide
SMILESCCc1csc2nc(C)c(NC(=O)CC(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-5-10-7-20-14-15-9(4)12(13(19)17(10)14)16-11(18)6-8(2)3/h7-8H,5-6H2,1-4H3,(H,16,18)
InChIKeyDAMUSNUFGNLHHK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.61
Rot. Bonds4

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

N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide (PubChem CID 53019426) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide
PubChem CID53019426
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide
SMILESCCc1csc2nc(C)c(NC(=O)CC(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-5-10-7-20-14-15-9(4)12(13(19)17(10)14)16-11(18)6-8(2)3/h7-8H,5-6H2,1-4H3,(H,16,18)
InChIKeyDAMUSNUFGNLHHK-UHFFFAOYSA-N
XLogP2.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.61
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)-3-methylbutanamide?
The IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide (CID 53019426) is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide is CCc1csc2nc(C)c(NC(=O)CC(C)C)c(=O)n12.
What is the InChIKey of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide?
The InChIKey is DAMUSNUFGNLHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-10-7-20-14-15-9(4)12(13(19)17(10)14)16-11(18)6-8(2)3/h7-8H,5-6H2,1-4H3,(H,16,18).
What are the key properties of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide?
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-methylbutanamide has a molecular weight of 293.39 g/mol, XLogP of 2.61, 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)-3-methylbutanamide is sourced from PubChem (CID 53019426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).