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

C12H15N3O2S — CID 53019444

IUPACN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc2scc(CC)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-8-6-18-12-13-7(3)10(11(17)15(8)12)14-9(16)5-2/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyMCJBMPLEOWLPFB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.98
Rot. Bonds3

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

N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 53019444) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID53019444
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc2scc(CC)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-8-6-18-12-13-7(3)10(11(17)15(8)12)14-9(16)5-2/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyMCJBMPLEOWLPFB-UHFFFAOYSA-N
XLogP1.98
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.98
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)propanamide?
The IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 53019444) is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is CCC(=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)propanamide?
The InChIKey is MCJBMPLEOWLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-8-6-18-12-13-7(3)10(11(17)15(8)12)14-9(16)5-2/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 265.34 g/mol, XLogP of 1.98, 3 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)propanamide is sourced from PubChem (CID 53019444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).