3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

C12H13N3O4S — CID 61007953

IUPAC3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O4S/c1-2-14(4-3-9(16)17)10(18)8-7-13-12-15(11(8)19)5-6-20-12/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyIXQBCAGWTSVWEW-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.69
Rot. Bonds5

About 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 61007953) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID61007953
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O4S/c1-2-14(4-3-9(16)17)10(18)8-7-13-12-15(11(8)19)5-6-20-12/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyIXQBCAGWTSVWEW-UHFFFAOYSA-N
XLogP0.69
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 61007953) is 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is IXQBCAGWTSVWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-14(4-3-9(16)17)10(18)8-7-13-12-15(11(8)19)5-6-20-12/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 295.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61007953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).