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

C10H12N4O3S — CID 43442327

IUPAC2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1cc(=O)n2nc(CN(C)CC(=O)O)sc2n1
InChIInChI=1S/C10H12N4O3S/c1-6-3-8(15)14-10(11-6)18-7(12-14)4-13(2)5-9(16)17/h3H,4-5H2,1-2H3,(H,16,17)
InChIKeyKVZNPJPOCATVFH-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.02
Rot. Bonds4

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

2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (PubChem CID 43442327) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
PubChem CID43442327
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1cc(=O)n2nc(CN(C)CC(=O)O)sc2n1
InChIInChI=1S/C10H12N4O3S/c1-6-3-8(15)14-10(11-6)18-7(12-14)4-13(2)5-9(16)17/h3H,4-5H2,1-2H3,(H,16,17)
InChIKeyKVZNPJPOCATVFH-UHFFFAOYSA-N
XLogP-0.02
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]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-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (CID 43442327) is 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is Cc1cc(=O)n2nc(CN(C)CC(=O)O)sc2n1.
What is the InChIKey of 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The InChIKey is KVZNPJPOCATVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6-3-8(15)14-10(11-6)18-7(12-14)4-13(2)5-9(16)17/h3H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid has a molecular weight of 268.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43442327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).