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

C10H11N3O4S — CID 43356314

IUPAC2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11N3O4S/c1-12(5-7(14)15)8(16)6-4-11-10-13(9(6)17)2-3-18-10/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyPFKKKFXDWSPBJQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.49
Rot. Bonds3

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

2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 43356314) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID43356314
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11N3O4S/c1-12(5-7(14)15)8(16)6-4-11-10-13(9(6)17)2-3-18-10/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyPFKKKFXDWSPBJQ-UHFFFAOYSA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 43356314) is 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is PFKKKFXDWSPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-12(5-7(14)15)8(16)6-4-11-10-13(9(6)17)2-3-18-10/h4H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 269.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 43356314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).