5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid

C11H11NO3S — CID 103255803

IUPAC5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
SMILESCC(Nc1ccsc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO3S/c1-7(12-8-4-5-16-6-8)9-2-3-10(15-9)11(13)14/h2-7,12H,1H3,(H,13,14)
InChIKeyBLGLPJNWTCXZCW-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.21
Rot. Bonds4

About 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid

5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103255803) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
PubChem CID103255803
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
SMILESCC(Nc1ccsc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO3S/c1-7(12-8-4-5-16-6-8)9-2-3-10(15-9)11(13)14/h2-7,12H,1H3,(H,13,14)
InChIKeyBLGLPJNWTCXZCW-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-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
CID 66350799
5-[1-(3-chloro-4-methylanilino)ethyl]furan-2-carboxylic acid
CID 103231504
5-[1-(4-ethoxyanilino)ethyl]furan-2-carboxylic acid
CID 103231754
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
5-[1-(1,3-benzothiazol-6-ylamino)ethyl]furan-2-carboxylic acid
CID 107805884
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
CID 106947312
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116

Frequently Asked Questions

What is the IUPAC name of 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid (CID 103255803) is 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid is CC(Nc1ccsc1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is BLGLPJNWTCXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7(12-8-4-5-16-6-8)9-2-3-10(15-9)11(13)14/h2-7,12H,1H3,(H,13,14).
What are the key properties of 5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid?
5-[1-(thiophen-3-ylamino)ethyl]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-ylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103255803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).