5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid

C14H18N2O3S — CID 104608110

IUPAC5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
SMILESCN(C)C(CNCc1cc(C(=O)O)co1)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-16(2)12(13-4-3-5-20-13)8-15-7-11-6-10(9-19-11)14(17)18/h3-6,9,12,15H,7-8H2,1-2H3,(H,17,18)
InChIKeySCQKGKSNTVGQNI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.43
Rot. Bonds7

About 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid

5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 104608110) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
PubChem CID104608110
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
SMILESCN(C)C(CNCc1cc(C(=O)O)co1)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-16(2)12(13-4-3-5-20-13)8-15-7-11-6-10(9-19-11)14(17)18/h3-6,9,12,15H,7-8H2,1-2H3,(H,17,18)
InChIKeySCQKGKSNTVGQNI-UHFFFAOYSA-N
XLogP2.43
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
CID 114127035
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
3-[(4-methoxycarbonylfuran-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 104608478
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid (CID 104608110) is 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid is CN(C)C(CNCc1cc(C(=O)O)co1)c1cccs1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is SCQKGKSNTVGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(2)12(13-4-3-5-20-13)8-15-7-11-6-10(9-19-11)14(17)18/h3-6,9,12,15H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid?
5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).