5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid

C14H12N2O4S — CID 62206527

IUPAC5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid
SMILESCCOc1ccc2nc(Nc3ccc(C(=O)O)o3)sc2c1
InChIInChI=1S/C14H12N2O4S/c1-2-19-8-3-4-9-11(7-8)21-14(15-9)16-12-6-5-10(20-12)13(17)18/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHMHASRBRQIYKR-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.73
Rot. Bonds5

About 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid

5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid (PubChem CID 62206527) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid
PubChem CID62206527
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid
SMILESCCOc1ccc2nc(Nc3ccc(C(=O)O)o3)sc2c1
InChIInChI=1S/C14H12N2O4S/c1-2-19-8-3-4-9-11(7-8)21-14(15-9)16-12-6-5-10(20-12)13(17)18/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHMHASRBRQIYKR-UHFFFAOYSA-N
XLogP3.73
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 17244734

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid (CID 62206527) is 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid is CCOc1ccc2nc(Nc3ccc(C(=O)O)o3)sc2c1.
What is the InChIKey of 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid?
The InChIKey is GHMHASRBRQIYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-2-19-8-3-4-9-11(7-8)21-14(15-9)16-12-6-5-10(20-12)13(17)18/h3-7H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid?
5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62206527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).