2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid

C13H13NO3S — CID 97035954

IUPAC2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
SMILESCCOc1ccc(-c2csc(C)n2)cc1C(=O)O
InChIInChI=1S/C13H13NO3S/c1-3-17-12-5-4-9(6-10(12)13(15)16)11-7-18-8(2)14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyTVVFVYLUIKNLDN-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds4

About 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid

2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 97035954) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
PubChem CID97035954
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
SMILESCCOc1ccc(-c2csc(C)n2)cc1C(=O)O
InChIInChI=1S/C13H13NO3S/c1-3-17-12-5-4-9(6-10(12)13(15)16)11-7-18-8(2)14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyTVVFVYLUIKNLDN-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic 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

5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid
CID 18707309
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-(2-methylprop-2-enyl)benzoic acid
CID 18707195
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
2-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]acetic acid
CID 4036294
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid (CID 97035954) is 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid is CCOc1ccc(-c2csc(C)n2)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is TVVFVYLUIKNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-12-5-4-9(6-10(12)13(15)16)11-7-18-8(2)14-11/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 263.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 97035954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).