5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid

C13H15NO3S — CID 62205503

IUPAC5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
SMILESCC(C)C(Nc1ccc(C(=O)O)o1)c1cccs1
InChIInChI=1S/C13H15NO3S/c1-8(2)12(10-4-3-7-18-10)14-11-6-5-9(17-11)13(15)16/h3-8,12,14H,1-2H3,(H,15,16)
InChIKeySPTABCKAIMZMNQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.85
Rot. Bonds5

About 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid

5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid (PubChem CID 62205503) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
PubChem CID62205503
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
SMILESCC(C)C(Nc1ccc(C(=O)O)o1)c1cccs1
InChIInChI=1S/C13H15NO3S/c1-8(2)12(10-4-3-7-18-10)14-11-6-5-9(17-11)13(15)16/h3-8,12,14H,1-2H3,(H,15,16)
InChIKeySPTABCKAIMZMNQ-UHFFFAOYSA-N
XLogP3.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
CID 103244693
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
2-bromo-3-fluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoic acid
CID 107540046
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid (CID 62205503) is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid is CC(C)C(Nc1ccc(C(=O)O)o1)c1cccs1.
What is the InChIKey of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The InChIKey is SPTABCKAIMZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-8(2)12(10-4-3-7-18-10)14-11-6-5-9(17-11)13(15)16/h3-8,12,14H,1-2H3,(H,15,16).
What are the key properties of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62205503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).