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

C11H11NO3S — CID 62345779

IUPAC2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccc(-c2nc(CC(=O)O)cs2)o1
InChIInChI=1S/C11H11NO3S/c1-2-8-3-4-9(15-8)11-12-7(6-16-11)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyUNEBIJZORSXZBQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.59
Rot. Bonds4

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

2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 62345779) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID62345779
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccc(-c2nc(CC(=O)O)cs2)o1
InChIInChI=1S/C11H11NO3S/c1-2-8-3-4-9(15-8)11-12-7(6-16-11)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyUNEBIJZORSXZBQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62346325
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369795
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355768
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66119112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid (CID 62345779) is 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid is CCc1ccc(-c2nc(CC(=O)O)cs2)o1.
What is the InChIKey of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UNEBIJZORSXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-2-8-3-4-9(15-8)11-12-7(6-16-11)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 2.59, 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]acetic acid is sourced from PubChem (CID 62345779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).