2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid

C9H9N3O2S — CID 83839068

IUPAC2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid
SMILESCc1nc2nccc(NCC(=O)O)c2s1
InChIInChI=1S/C9H9N3O2S/c1-5-12-9-8(15-5)6(2-3-10-9)11-4-7(13)14/h2-3H,4H2,1H3,(H,10,11)(H,13,14)
InChIKeyKHUVCVCKYRQXBO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.50
Rot. Bonds3

About 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid

2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid (PubChem CID 83839068) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid
PubChem CID83839068
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid
SMILESCc1nc2nccc(NCC(=O)O)c2s1
InChIInChI=1S/C9H9N3O2S/c1-5-12-9-8(15-5)6(2-3-10-9)11-4-7(13)14/h2-3H,4H2,1H3,(H,10,11)(H,13,14)
InChIKeyKHUVCVCKYRQXBO-UHFFFAOYSA-N
XLogP1.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid (CID 83839068) is 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid is Cc1nc2nccc(NCC(=O)O)c2s1.
What is the InChIKey of 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid?
The InChIKey is KHUVCVCKYRQXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-12-9-8(15-5)6(2-3-10-9)11-4-7(13)14/h2-3H,4H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid?
2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid has a molecular weight of 223.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)amino]acetic acid is sourced from PubChem (CID 83839068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).