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

C21H21NO4S — CID 20987349

IUPAC2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1cc(OC)ccc1-c1nc(-c2ccc(C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C21H21NO4S/c1-4-26-17-11-15(25-3)9-10-16(17)21-22-20(18(27-21)12-19(23)24)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3,(H,23,24)
InChIKeyVEOVWKMSZCXYTO-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.82
Rot. Bonds7

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

2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 20987349) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID20987349
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1cc(OC)ccc1-c1nc(-c2ccc(C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C21H21NO4S/c1-4-26-17-11-15(25-3)9-10-16(17)21-22-20(18(27-21)12-19(23)24)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3,(H,23,24)
InChIKeyVEOVWKMSZCXYTO-UHFFFAOYSA-N
XLogP4.82
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-butoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20993428
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
2-[2-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991049
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
2-[4-(4-chloro-3-phosphanylphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 122490676
2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987085
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
CID 97035884
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 20987349) is 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is CCOc1cc(OC)ccc1-c1nc(-c2ccc(C)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is VEOVWKMSZCXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-4-26-17-11-15(25-3)9-10-16(17)21-22-20(18(27-21)12-19(23)24)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 383.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 20987349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).