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

C14H15NO3S — CID 82069372

IUPAC2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(-c2cccc(OC)c2)c(CC(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-3-12-15-14(11(19-12)8-13(16)17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyGOQOTMWJPVFAEM-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.01
Rot. Bonds5

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

2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069372) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82069372
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(-c2cccc(OC)c2)c(CC(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-3-12-15-14(11(19-12)8-13(16)17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyGOQOTMWJPVFAEM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid
CID 46229852
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-[4-(3-fluorophenyl)-2-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
CID 16660291
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 82069372) is 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is CCc1nc(-c2cccc(OC)c2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GOQOTMWJPVFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-12-15-14(11(19-12)8-13(16)17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).