5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid

C11H9NO3S — CID 46785031

IUPAC5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(C(=O)O)s2)c1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-6-12-10(16-9)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyFWQDPZFOIDSOLC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid

5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 46785031) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID46785031
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(C(=O)O)s2)c1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-6-12-10(16-9)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyFWQDPZFOIDSOLC-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

2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
3,6-dibromo-4-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 135453484
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
4-(difluoromethyl)-2-(3-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 62891615
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid (CID 46785031) is 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid is COc1cccc(-c2cnc(C(=O)O)s2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is FWQDPZFOIDSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)9-6-12-10(16-9)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid?
5-(3-methoxyphenyl)-1,3-thiazole-2-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 5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 46785031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).