5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid

C13H15NO3S — CID 79084704

IUPAC5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)Cc1ccsc1
InChIInChI=1S/C13H15NO3S/c1-9(11-3-4-12(17-11)13(15)16)14(2)7-10-5-6-18-8-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyVMGRQSWFLKKAHW-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.23
Rot. Bonds5

About 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 79084704) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID79084704
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)Cc1ccsc1
InChIInChI=1S/C13H15NO3S/c1-9(11-3-4-12(17-11)13(15)16)14(2)7-10-5-6-18-8-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyVMGRQSWFLKKAHW-UHFFFAOYSA-N
XLogP3.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
CID 154751955
5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
CID 106947312
5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084352
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
5-[1-[butan-2-yl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 79083835
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921

Frequently Asked Questions

What is the IUPAC name of 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid (CID 79084704) is 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(C)Cc1ccsc1.
What is the InChIKey of 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is VMGRQSWFLKKAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(11-3-4-12(17-11)13(15)16)14(2)7-10-5-6-18-8-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79084704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).