3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid

C9H8N2O2S — CID 65335368

IUPAC3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c12-8(13)4-3-7-11-6-2-1-5-10-9(6)14-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyRXYKGKMIYDNDPN-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.71
Rot. Bonds3

About 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid

3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 65335368) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID65335368
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c12-8(13)4-3-7-11-6-2-1-5-10-9(6)14-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyRXYKGKMIYDNDPN-UHFFFAOYSA-N
XLogP1.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 65335368) is 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2cccnc2s1.
What is the InChIKey of 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is RXYKGKMIYDNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8(13)4-3-7-11-6-2-1-5-10-9(6)14-7/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 208.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 65335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).