2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

C7H5N3O2S — CID 83667879

IUPAC2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2s1
InChIInChI=1S/C7H5N3O2S/c8-7-10-5-4(13-7)1-3(2-9-5)6(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKeyZEKKEUQGGWCAPM-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.97
Rot. Bonds1

About 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 83667879) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID83667879
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2s1
InChIInChI=1S/C7H5N3O2S/c8-7-10-5-4(13-7)1-3(2-9-5)6(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKeyZEKKEUQGGWCAPM-UHFFFAOYSA-N
XLogP0.97
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (CID 83667879) is 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is Nc1nc2ncc(C(=O)O)cc2s1.
What is the InChIKey of 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is ZEKKEUQGGWCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c8-7-10-5-4(13-7)1-3(2-9-5)6(11)12/h1-2H,(H,11,12)(H2,8,9,10).
What are the key properties of 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 83667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).