2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid

C8H8N4O2S — CID 83839378

IUPAC2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NCC(=O)O)c2cnsc2n1
InChIInChI=1S/C8H8N4O2S/c1-4-11-7(9-3-6(13)14)5-2-10-15-8(5)12-4/h2H,3H2,1H3,(H,13,14)(H,9,11,12)
InChIKeyGFTNREJJTCYRGS-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.89
Rot. Bonds3

About 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid

2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 83839378) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID83839378
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NCC(=O)O)c2cnsc2n1
InChIInChI=1S/C8H8N4O2S/c1-4-11-7(9-3-6(13)14)5-2-10-15-8(5)12-4/h2H,3H2,1H3,(H,13,14)(H,9,11,12)
InChIKeyGFTNREJJTCYRGS-UHFFFAOYSA-N
XLogP0.89
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)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-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid (CID 83839378) is 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid is Cc1nc(NCC(=O)O)c2cnsc2n1.
What is the InChIKey of 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is GFTNREJJTCYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-4-11-7(9-3-6(13)14)5-2-10-15-8(5)12-4/h2H,3H2,1H3,(H,13,14)(H,9,11,12).
What are the key properties of 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 224.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83839378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).