5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid

C15H19NO3S — CID 103257600

IUPAC5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC(C)(C)c1cccs1
InChIInChI=1S/C15H19NO3S/c1-10-11(7-12(19-10)14(17)18)8-16-9-15(2,3)13-5-4-6-20-13/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyBBAWHDTWEBHWOJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.42
Rot. Bonds6

About 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid

5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 103257600) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid
PubChem CID103257600
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC(C)(C)c1cccs1
InChIInChI=1S/C15H19NO3S/c1-10-11(7-12(19-10)14(17)18)8-16-9-15(2,3)13-5-4-6-20-13/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyBBAWHDTWEBHWOJ-UHFFFAOYSA-N
XLogP3.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-methyl-4-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103240937
5-methyl-4-[(2-thiophen-2-ylethylamino)methyl]furan-2-carboxylic acid
CID 103235548
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
5-methyl-4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103265349
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
4-[[(3,4-difluorophenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103244446
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid (CID 103257600) is 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNCC(C)(C)c1cccs1.
What is the InChIKey of 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is BBAWHDTWEBHWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-11(7-12(19-10)14(17)18)8-16-9-15(2,3)13-5-4-6-20-13/h4-7,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid?
5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103257600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).