3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid

C9H12N2O2S — CID 82096765

IUPAC3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESO=C(O)CCN1CCc2ncsc2C1
InChIInChI=1S/C9H12N2O2S/c12-9(13)2-4-11-3-1-7-8(5-11)14-6-10-7/h6H,1-5H2,(H,12,13)
InChIKeyYCNLVJQKJHQWHQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.98
Rot. Bonds3

About 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid

3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (PubChem CID 82096765) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
PubChem CID82096765
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESO=C(O)CCN1CCc2ncsc2C1
InChIInChI=1S/C9H12N2O2S/c12-9(13)2-4-11-3-1-7-8(5-11)14-6-10-7/h6H,1-5H2,(H,12,13)
InChIKeyYCNLVJQKJHQWHQ-UHFFFAOYSA-N
XLogP0.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The IUPAC name of 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (CID 82096765) is 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The canonical SMILES for 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is O=C(O)CCN1CCc2ncsc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The InChIKey is YCNLVJQKJHQWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(13)2-4-11-3-1-7-8(5-11)14-6-10-7/h6H,1-5H2,(H,12,13).
What are the key properties of 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid has a molecular weight of 212.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 82096765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).