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

C15H17NO3S — CID 94707671

IUPAC2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCCOc1cccc(-c2nc(C(C)(C)C(=O)O)cs2)c1
InChIInChI=1S/C15H17NO3S/c1-4-19-11-7-5-6-10(8-11)13-16-12(9-20-13)15(2,3)14(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyAVVOTHJFWPXVOB-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.57
Rot. Bonds5

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

2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 94707671) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID94707671
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCCOc1cccc(-c2nc(C(C)(C)C(=O)O)cs2)c1
InChIInChI=1S/C15H17NO3S/c1-4-19-11-7-5-6-10(8-11)13-16-12(9-20-13)15(2,3)14(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyAVVOTHJFWPXVOB-UHFFFAOYSA-N
XLogP3.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
2-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682580
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369795
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 94707671) is 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is CCOc1cccc(-c2nc(C(C)(C)C(=O)O)cs2)c1.
What is the InChIKey of 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is AVVOTHJFWPXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-19-11-7-5-6-10(8-11)13-16-12(9-20-13)15(2,3)14(17)18/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 94707671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).