2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid

C12H12ClNO3S — CID 103243980

IUPAC2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
SMILESCC(NCc1occc1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-7(10-2-3-11(13)18-10)14-6-9-8(12(15)16)4-5-17-9/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyKCIOXQBYYYCJGE-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.54
Rot. Bonds5

About 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid

2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid (PubChem CID 103243980) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
PubChem CID103243980
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
SMILESCC(NCc1occc1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-7(10-2-3-11(13)18-10)14-6-9-8(12(15)16)4-5-17-9/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyKCIOXQBYYYCJGE-UHFFFAOYSA-N
XLogP3.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(5-chlorothiophen-2-yl)ethylamino]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

2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257184
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630950
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257628
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103265787
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 103248668
2-[(heptan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103247314
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
2-[[(5-ethylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106004291

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid (CID 103243980) is 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid is CC(NCc1occc1C(=O)O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid?
The InChIKey is KCIOXQBYYYCJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-7(10-2-3-11(13)18-10)14-6-9-8(12(15)16)4-5-17-9/h2-5,7,14H,6H2,1H3,(H,15,16).
What are the key properties of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid?
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid has a molecular weight of 285.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103243980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).