4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid

C19H17NO4S — CID 20987539

IUPAC4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Oc3cccc(OC)c3)cc2)sc1C(=O)O
InChIInChI=1S/C19H17NO4S/c1-3-16-17(19(21)22)25-18(20-16)12-7-9-13(10-8-12)24-15-6-4-5-14(11-15)23-2/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyGVKOKBIVEINXTF-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.87
Rot. Bonds6

About 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid

4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 20987539) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID20987539
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Oc3cccc(OC)c3)cc2)sc1C(=O)O
InChIInChI=1S/C19H17NO4S/c1-3-16-17(19(21)22)25-18(20-16)12-7-9-13(10-8-12)24-15-6-4-5-14(11-15)23-2/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyGVKOKBIVEINXTF-UHFFFAOYSA-N
XLogP4.87
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984956
2-[4-(2,6-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22684855
2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22686061
2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20984131
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683034
4-ethyl-2-[4-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683211
4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 157121525
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20990507
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980611
4-ethyl-2-[3-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987863

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid (CID 20987539) is 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2ccc(Oc3cccc(OC)c3)cc2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is GVKOKBIVEINXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-3-16-17(19(21)22)25-18(20-16)12-7-9-13(10-8-12)24-15-6-4-5-14(11-15)23-2/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20987539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).