5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid

C12H9NO5S — CID 117214754

IUPAC5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1scnc1C(=O)O
InChIInChI=1S/C12H9NO5S/c1-17-7-4-2-3-5-8(7)18-12(16)10-9(11(14)15)13-6-19-10/h2-6H,1H3,(H,14,15)
InChIKeyWCWSGBRHLKMJBO-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.07
Rot. Bonds4

About 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid

5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid (PubChem CID 117214754) has the molecular formula C12H9NO5S and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
PubChem CID117214754
Molecular FormulaC12H9NO5S
Molecular Weight279.27 g/mol
Exact Mass279.02
IUPAC Name5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1scnc1C(=O)O
InChIInChI=1S/C12H9NO5S/c1-17-7-4-2-3-5-8(7)18-12(16)10-9(11(14)15)13-6-19-10/h2-6H,1H3,(H,14,15)
InChIKeyWCWSGBRHLKMJBO-UHFFFAOYSA-N
XLogP2.07
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214774
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
4-methoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 117214962
5-(2-methoxy-N-sulfinoanilino)-1,3-thiazole-4-carboxylic acid
CID 175456506
5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567026
(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214654
4-carboxy-5-(2-methoxy-N-sulfinatoanilino)-1,3-thiazole
CID 175456505
6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117212928
5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
CID 87011686

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid (CID 117214754) is 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid is COc1ccccc1OC(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is WCWSGBRHLKMJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5S/c1-17-7-4-2-3-5-8(7)18-12(16)10-9(11(14)15)13-6-19-10/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid?
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117214754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).