5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid

C11H11NO3S — CID 62844765

IUPAC5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)o1)c1ccsc1
InChIInChI=1S/C11H11NO3S/c1-7(8-4-5-16-6-8)12-10-3-2-9(15-10)11(13)14/h2-7,12H,1H3,(H,13,14)
InChIKeyANZDRUWUZPJJTE-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.21
Rot. Bonds4

About 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid

5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid (PubChem CID 62844765) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
PubChem CID62844765
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)o1)c1ccsc1
InChIInChI=1S/C11H11NO3S/c1-7(8-4-5-16-6-8)12-10-3-2-9(15-10)11(13)14/h2-7,12H,1H3,(H,13,14)
InChIKeyANZDRUWUZPJJTE-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
3-chloro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 63087825
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
2-bromo-3-fluoro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 107540257
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
CID 105382273

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid (CID 62844765) is 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid is CC(Nc1ccc(C(=O)O)o1)c1ccsc1.
What is the InChIKey of 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid?
The InChIKey is ANZDRUWUZPJJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7(8-4-5-16-6-8)12-10-3-2-9(15-10)11(13)14/h2-7,12H,1H3,(H,13,14).
What are the key properties of 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid?
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62844765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).