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

C10H11N3O4S — CID 43355358

IUPAC2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C10H11N3O4S/c1-5(9(16)17)12-7(14)6-4-11-10-13(8(6)15)2-3-18-10/h4-5H,2-3H2,1H3,(H,12,14)(H,16,17)
InChIKeyINYDRYNWNSVRDE-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.45
Rot. Bonds3

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

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 43355358) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID43355358
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C10H11N3O4S/c1-5(9(16)17)12-7(14)6-4-11-10-13(8(6)15)2-3-18-10/h4-5H,2-3H2,1H3,(H,12,14)(H,16,17)
InChIKeyINYDRYNWNSVRDE-UHFFFAOYSA-N
XLogP-0.45
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 43355358) is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is CC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O.
What is the InChIKey of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is INYDRYNWNSVRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-5(9(16)17)12-7(14)6-4-11-10-13(8(6)15)2-3-18-10/h4-5H,2-3H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 269.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).