5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid

C15H13NO4S — CID 82190160

IUPAC5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid
SMILESCCc1nc2c(OCc3ccc(C(=O)O)o3)cccc2s1
InChIInChI=1S/C15H13NO4S/c1-2-13-16-14-10(4-3-5-12(14)21-13)19-8-9-6-7-11(20-9)15(17)18/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyCXQVOLQFNZLPTN-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.73
Rot. Bonds5

About 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid

5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid (PubChem CID 82190160) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid
PubChem CID82190160
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid
SMILESCCc1nc2c(OCc3ccc(C(=O)O)o3)cccc2s1
InChIInChI=1S/C15H13NO4S/c1-2-13-16-14-10(4-3-5-12(14)21-13)19-8-9-6-7-11(20-9)15(17)18/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyCXQVOLQFNZLPTN-UHFFFAOYSA-N
XLogP3.73
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
3-[[2-(2-methylpropyl)-1,3-benzothiazol-4-yl]oxy]propanoic acid
CID 82190277
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
CID 43126906
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid (CID 82190160) is 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid is CCc1nc2c(OCc3ccc(C(=O)O)o3)cccc2s1.
What is the InChIKey of 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid?
The InChIKey is CXQVOLQFNZLPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-2-13-16-14-10(4-3-5-12(14)21-13)19-8-9-6-7-11(20-9)15(17)18/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid?
5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-benzothiazol-4-yl)oxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 82190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).