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

C10H9NO3S — CID 66350799

IUPAC5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2ccsc2)o1
InChIInChI=1S/C10H9NO3S/c12-10(13)9-2-1-8(14-9)5-11-7-3-4-15-6-7/h1-4,6,11H,5H2,(H,12,13)
InChIKeyRVENMIPPXJYOKY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.65
Rot. Bonds4

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

5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid (PubChem CID 66350799) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
PubChem CID66350799
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2ccsc2)o1
InChIInChI=1S/C10H9NO3S/c12-10(13)9-2-1-8(14-9)5-11-7-3-4-15-6-7/h1-4,6,11H,5H2,(H,12,13)
InChIKeyRVENMIPPXJYOKY-UHFFFAOYSA-N
XLogP2.65
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-benzylanilino)methyl]furan-2-carboxylic acid
CID 10018085
5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylic acid
CID 107572270
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
5-[[(6-bromo-3-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 114051655
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
2-[(thiophen-3-ylamino)methyl]benzoic acid
CID 103255817
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279
5-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 55205653

Frequently Asked Questions

What is the IUPAC name of 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid (CID 66350799) is 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNc2ccsc2)o1.
What is the InChIKey of 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid?
The InChIKey is RVENMIPPXJYOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-10(13)9-2-1-8(14-9)5-11-7-3-4-15-6-7/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid?
5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 66350799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).