4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid

C14H15NO3S — CID 95481161

IUPAC4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1c(C)cc(-c2ncsc2C(=O)O)c(C)c1C
InChIInChI=1S/C14H15NO3S/c1-7-5-10(8(2)9(3)12(7)18-4)11-13(14(16)17)19-6-15-11/h5-6H,1-4H3,(H,16,17)
InChIKeyYDYGWWCVHSTMBI-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.44
Rot. Bonds3

About 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid

4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 95481161) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID95481161
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1c(C)cc(-c2ncsc2C(=O)O)c(C)c1C
InChIInChI=1S/C14H15NO3S/c1-7-5-10(8(2)9(3)12(7)18-4)11-13(14(16)17)19-6-15-11/h5-6H,1-4H3,(H,16,17)
InChIKeyYDYGWWCVHSTMBI-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715
ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 145106003
4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129018
5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
CID 98020174
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
CID 82306331
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
CID 83068115
[4-(4-methoxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenyl] benzoate
CID 58805684
2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid (CID 95481161) is 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid is COc1c(C)cc(-c2ncsc2C(=O)O)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YDYGWWCVHSTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-7-5-10(8(2)9(3)12(7)18-4)11-13(14(16)17)19-6-15-11/h5-6H,1-4H3,(H,16,17).
What are the key properties of 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).