3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid

C13H14N2O2S — CID 82428678

IUPAC3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(-c2ccccn2)sc1CCC(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-9-11(6-7-12(16)17)18-13(15-9)10-5-3-4-8-14-10/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyZIPOEEIKYXNUKL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid

3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82428678) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82428678
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(-c2ccccn2)sc1CCC(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-9-11(6-7-12(16)17)18-13(15-9)10-5-3-4-8-14-10/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyZIPOEEIKYXNUKL-UHFFFAOYSA-N
XLogP2.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82431158
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82428151
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441990
(5-ethyl-2-pyridin-2-yl-1,3-thiazol-4-yl) trifluoromethanesulfonate
CID 86680765
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
CID 22326481
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid (CID 82428678) is 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid is CCc1nc(-c2ccccn2)sc1CCC(=O)O.
What is the InChIKey of 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is ZIPOEEIKYXNUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-9-11(6-7-12(16)17)18-13(15-9)10-5-3-4-8-14-10/h3-5,8H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 262.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82428678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).