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

C11H14N4O3S — CID 60839851

IUPAC2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C11H14N4O3S/c1-7(2)14(5-10(17)18)4-8-3-9(16)15-11(13-8)19-6-12-15/h3,6-7H,4-5H2,1-2H3,(H,17,18)
InChIKeyQUXSEFWZXMOALJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.45
Rot. Bonds5

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

2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 60839851) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID60839851
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C11H14N4O3S/c1-7(2)14(5-10(17)18)4-8-3-9(16)15-11(13-8)19-6-12-15/h3,6-7H,4-5H2,1-2H3,(H,17,18)
InChIKeyQUXSEFWZXMOALJ-UHFFFAOYSA-N
XLogP0.45
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]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-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid (CID 60839851) is 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is QUXSEFWZXMOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7(2)14(5-10(17)18)4-8-3-9(16)15-11(13-8)19-6-12-15/h3,6-7H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid?
2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 282.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60839851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).