2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid

C9H10N4O3S — CID 43466085

IUPAC2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1cc(=O)n2nc(CNCC(=O)O)sc2n1
InChIInChI=1S/C9H10N4O3S/c1-5-2-7(14)13-9(11-5)17-6(12-13)3-10-4-8(15)16/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyFVXFRBJGBZISLR-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid

2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid (PubChem CID 43466085) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid
PubChem CID43466085
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1cc(=O)n2nc(CNCC(=O)O)sc2n1
InChIInChI=1S/C9H10N4O3S/c1-5-2-7(14)13-9(11-5)17-6(12-13)3-10-4-8(15)16/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyFVXFRBJGBZISLR-UHFFFAOYSA-N
XLogP-0.37
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]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-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid (CID 43466085) is 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid is Cc1cc(=O)n2nc(CNCC(=O)O)sc2n1.
What is the InChIKey of 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The InChIKey is FVXFRBJGBZISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-5-2-7(14)13-9(11-5)17-6(12-13)3-10-4-8(15)16/h2,10H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid?
2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid has a molecular weight of 254.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methylamino]acetic acid is sourced from PubChem (CID 43466085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).