5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid

C13H9NO3S — CID 65450512

IUPAC5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C13H9NO3S/c15-13(16)10-2-4-12(17-10)14-9-1-3-11-8(7-9)5-6-18-11/h1-7,14H,(H,15,16)
InChIKeyNDMIMGVKLJAAJG-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.94
Rot. Bonds3

About 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid

5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid (PubChem CID 65450512) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid
PubChem CID65450512
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C13H9NO3S/c15-13(16)10-2-4-12(17-10)14-9-1-3-11-8(7-9)5-6-18-11/h1-7,14H,(H,15,16)
InChIKeyNDMIMGVKLJAAJG-UHFFFAOYSA-N
XLogP3.94
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715
5-(4-bromo-3-methylanilino)furan-2-carboxylic acid
CID 62206003
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570081
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
CID 60706036
5-(4-bromo-3-methoxyanilino)furan-2-carboxylic acid
CID 82859024
2-amino-6-(1-benzothiophen-5-ylamino)-3-fluorobenzoic acid
CID 83206087
5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid
CID 114253168
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
3-[(1-benzothiophen-5-ylamino)methyl]benzoic acid
CID 103252357
2-(1-benzothiophen-5-ylamino)-2-cyclopropylacetic acid
CID 103252360

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid (CID 65450512) is 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid is O=C(O)c1ccc(Nc2ccc3sccc3c2)o1.
What is the InChIKey of 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid?
The InChIKey is NDMIMGVKLJAAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-13(16)10-2-4-12(17-10)14-9-1-3-11-8(7-9)5-6-18-11/h1-7,14H,(H,15,16).
What are the key properties of 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid?
5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid is sourced from PubChem (CID 65450512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).