4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid

C13H12N2O5S — CID 79737424

IUPAC4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC(=O)Nc1nccs1
InChIInChI=1S/C13H12N2O5S/c1-19-9-3-2-8(12(17)18)6-10(9)20-7-11(16)15-13-14-4-5-21-13/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHFBFNKHNPJEAQS-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.87
Rot. Bonds6

About 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid

4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid (PubChem CID 79737424) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
PubChem CID79737424
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC(=O)Nc1nccs1
InChIInChI=1S/C13H12N2O5S/c1-19-9-3-2-8(12(17)18)6-10(9)20-7-11(16)15-13-14-4-5-21-13/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHFBFNKHNPJEAQS-UHFFFAOYSA-N
XLogP1.87
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoate
CID 93204037
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 79726833
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202118
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid (CID 79737424) is 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid is COc1ccc(C(=O)O)cc1OCC(=O)Nc1nccs1.
What is the InChIKey of 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid?
The InChIKey is HFBFNKHNPJEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-19-9-3-2-8(12(17)18)6-10(9)20-7-11(16)15-13-14-4-5-21-13/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid?
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid is sourced from PubChem (CID 79737424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).