5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid

C12H13NO3S — CID 62268165

IUPAC5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1ccsc1)Cc1cc(C(=O)O)co1
InChIInChI=1S/C12H13NO3S/c1-13(5-9-2-3-17-8-9)6-11-4-10(7-16-11)12(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyXYBGFTXHLYMDOC-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.67
Rot. Bonds5

About 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid

5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 62268165) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
PubChem CID62268165
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1ccsc1)Cc1cc(C(=O)O)co1
InChIInChI=1S/C12H13NO3S/c1-13(5-9-2-3-17-8-9)6-11-4-10(7-16-11)12(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyXYBGFTXHLYMDOC-UHFFFAOYSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
2-amino-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]benzoic acid
CID 104824331
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 62267286
4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43396637
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
3-[methyl(thiophen-3-ylmethyl)amino]-4-nitrobenzoic acid
CID 82783947
4-[methyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940528

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid (CID 62268165) is 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid is CN(Cc1ccsc1)Cc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is XYBGFTXHLYMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-13(5-9-2-3-17-8-9)6-11-4-10(7-16-11)12(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62268165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).