3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid

C11H10N2O2S — CID 82116416

IUPAC3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S/c14-11(15)4-3-10-13-9(7-16-10)8-2-1-5-12-6-8/h1-2,5-7H,3-4H2,(H,14,15)
InChIKeyBCWHMLRDYDGEJO-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 82116416) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
PubChem CID82116416
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S/c14-11(15)4-3-10-13-9(7-16-10)8-2-1-5-12-6-8/h1-2,5-7H,3-4H2,(H,14,15)
InChIKeyBCWHMLRDYDGEJO-UHFFFAOYSA-N
XLogP2.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid (CID 82116416) is 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid is O=C(O)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is BCWHMLRDYDGEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(15)4-3-10-13-9(7-16-10)8-2-1-5-12-6-8/h1-2,5-7H,3-4H2,(H,14,15).
What are the key properties of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid?
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 234.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 82116416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).