4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

C11H9NO3S — CID 82129354

IUPAC4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2ncsc2C(=O)O)c1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-10(11(13)14)16-6-12-9/h2-6H,1H3,(H,13,14)
InChIKeyDZWUFMQWVOJEGG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82129354) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82129354
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2ncsc2C(=O)O)c1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-10(11(13)14)16-6-12-9/h2-6H,1H3,(H,13,14)
InChIKeyDZWUFMQWVOJEGG-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
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-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
4-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82480528
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 82129354) is 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1cccc(-c2ncsc2C(=O)O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DZWUFMQWVOJEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-10(11(13)14)16-6-12-9/h2-6H,1H3,(H,13,14).
What are the key properties of 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82129354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).