2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid

C9H9N3O2S — CID 130481774

IUPAC2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid
SMILESCc1nsc2ncnc(C(C)C(=O)O)c12
InChIInChI=1S/C9H9N3O2S/c1-4(9(13)14)7-6-5(2)12-15-8(6)11-3-10-7/h3-4H,1-2H3,(H,13,14)
InChIKeyMIIFXDYXDQMQLY-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.58
Rot. Bonds2

About 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid

2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid (PubChem CID 130481774) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid
PubChem CID130481774
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid
SMILESCc1nsc2ncnc(C(C)C(=O)O)c12
InChIInChI=1S/C9H9N3O2S/c1-4(9(13)14)7-6-5(2)12-15-8(6)11-3-10-7/h3-4H,1-2H3,(H,13,14)
InChIKeyMIIFXDYXDQMQLY-UHFFFAOYSA-N
XLogP1.58
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic 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-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid (CID 130481774) is 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid is Cc1nsc2ncnc(C(C)C(=O)O)c12.
What is the InChIKey of 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid?
The InChIKey is MIIFXDYXDQMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-4(9(13)14)7-6-5(2)12-15-8(6)11-3-10-7/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid?
2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid has a molecular weight of 223.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 130481774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).