5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid

C11H9NO3S — CID 171617965

IUPAC5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
SMILESCOc1ccc(-c2nccs2)c(C(=O)O)c1
InChIInChI=1S/C11H9NO3S/c1-15-7-2-3-8(9(6-7)11(13)14)10-12-4-5-16-10/h2-6H,1H3,(H,13,14)
InChIKeyKHFUODGEVJVRRF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid

5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid (PubChem CID 171617965) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
PubChem CID171617965
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
SMILESCOc1ccc(-c2nccs2)c(C(=O)O)c1
InChIInChI=1S/C11H9NO3S/c1-15-7-2-3-8(9(6-7)11(13)14)10-12-4-5-16-10/h2-6H,1H3,(H,13,14)
InChIKeyKHFUODGEVJVRRF-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-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
CID 175077266
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
3-methoxycarbonyl-2-(1,3-thiazol-2-yl)benzoic acid
CID 174307635
CID 171375610
CID 171375610

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid (CID 171617965) is 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid is COc1ccc(-c2nccs2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid?
The InChIKey is KHFUODGEVJVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-7-2-3-8(9(6-7)11(13)14)10-12-4-5-16-10/h2-6H,1H3,(H,13,14).
What are the key properties of 5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid?
5-methoxy-2-(1,3-thiazol-2-yl)benzoic 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-methoxy-2-(1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 171617965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).