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

C14H15NO3S — CID 1250034

IUPAC2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-11-6-4-10(5-7-11)14-12(8-13(16)17)19-9(2)15-14/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyFXTGTVRWXMMDNV-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.14
Rot. Bonds5

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

2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 1250034) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID1250034
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-11-6-4-10(5-7-11)14-12(8-13(16)17)19-9(2)15-14/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyFXTGTVRWXMMDNV-UHFFFAOYSA-N
XLogP3.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazol-5-yl]-acetic acid
CID 5028133
2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10003213
2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 11754345
(S)-2-(5-(2-(5-methyl-2-p-tolylthiazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 44442452
2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiazoleacetic acid
CID 6494197
(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
CID 738083
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
[2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 4151303
3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9823501
3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9845832
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
(S)-2-(5-(2-(2-(4-methoxyphenyl)-5-methylthiazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 10202547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (CID 1250034) is 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is CCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is FXTGTVRWXMMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-11-6-4-10(5-7-11)14-12(8-13(16)17)19-9(2)15-14/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 1250034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).