2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C13H15NO3S — CID 113369795

IUPAC2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCCc1ccc(-c2nc(C(C)(C)C(=O)O)cs2)o1
InChIInChI=1S/C13H15NO3S/c1-4-8-5-6-9(17-8)11-14-10(7-18-11)13(2,3)12(15)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyNZQSOQQKRQFUOV-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 113369795) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID113369795
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCCc1ccc(-c2nc(C(C)(C)C(=O)O)cs2)o1
InChIInChI=1S/C13H15NO3S/c1-4-8-5-6-9(17-8)11-14-10(7-18-11)13(2,3)12(15)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyNZQSOQQKRQFUOV-UHFFFAOYSA-N
XLogP3.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 113369795) is 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is CCc1ccc(-c2nc(C(C)(C)C(=O)O)cs2)o1.
What is the InChIKey of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is NZQSOQQKRQFUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-4-8-5-6-9(17-8)11-14-10(7-18-11)13(2,3)12(15)16/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 113369795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).