3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid

C23H20N2O6S2 — CID 159115802

IUPAC3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nsc(C)c2C(=O)O)cc1.Cc1snc(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C12H11NO3S.C11H9NO3S/c1-7-10(12(14)15)11(13-17-7)8-3-5-9(16-2)6-4-8;1-6-9(11(14)15)10(12-16-6)7-2-4-8(13)5-3-7/h3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15)
InChIKeyKFBJNQOGUHGICK-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.35
Rot. Bonds5

About 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid

3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 159115802) has the molecular formula C23H20N2O6S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID159115802
Molecular FormulaC23H20N2O6S2
Molecular Weight484.56 g/mol
Exact Mass484.08
IUPAC Name3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nsc(C)c2C(=O)O)cc1.Cc1snc(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C12H11NO3S.C11H9NO3S/c1-7-10(12(14)15)11(13-17-7)8-3-5-9(16-2)6-4-8;1-6-9(11(14)15)10(12-16-6)7-2-4-8(13)5-3-7/h3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15)
InChIKeyKFBJNQOGUHGICK-UHFFFAOYSA-N
XLogP5.35
TPSA129.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic 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

4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-methoxyphenol;4-methylphenol
CID 158312507
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
CID 58962956
(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
CID 162692086
methane;4-methoxyphenol
CID 159494332
[N'-[(4-amino-3-chloro-5-methylphenyl)methyl]-N-[3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carbonyl]carbamimidoyl]carbamic acid
CID 69406681
3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82134582
2-[4-bromo-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]ethane-1,1,1-tricarboxylic acid
CID 123917694

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid (CID 159115802) is 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid is COc1ccc(-c2nsc(C)c2C(=O)O)cc1.Cc1snc(-c2ccc(O)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KFBJNQOGUHGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S.C11H9NO3S/c1-7-10(12(14)15)11(13-17-7)8-3-5-9(16-2)6-4-8;1-6-9(11(14)15)10(12-16-6)7-2-4-8(13)5-3-7/h3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15).
What are the key properties of 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid?
3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 484.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 159115802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).