2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

C20H19NO4S — CID 20984187

IUPAC2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C20H19NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)8-9-17(18)25-11-14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyLKJYBLIRHIOJGJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.79
Rot. Bonds7

About 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 20984187) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID20984187
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C20H19NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)8-9-17(18)25-11-14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyLKJYBLIRHIOJGJ-UHFFFAOYSA-N
XLogP4.79
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 22680767
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
2-(3-ethoxy-4-phenylmethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20993409
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (CID 20984187) is 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is CCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LKJYBLIRHIOJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)8-9-17(18)25-11-14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20984187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).