5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid

C12H11NO2S — CID 150344942

IUPAC5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
SMILESNCc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C12H11NO2S/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6H,7,13H2,(H,14,15)
InChIKeyGSMKUXWEZNXHQG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.57
Rot. Bonds3

About 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid

5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 150344942) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID150344942
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
SMILESNCc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C12H11NO2S/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6H,7,13H2,(H,14,15)
InChIKeyGSMKUXWEZNXHQG-UHFFFAOYSA-N
XLogP2.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
CID 142940880
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
5-(4-azidophenyl)thiophene-2-carboxylic acid
CID 165474509
[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride
CID 57365259
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
1-[5-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]thiophen-2-yl]ethanone
CID 11623891
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]thiophene-2-carboxylic acid
CID 69094666
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid
CID 68613630
5-(5-hydroxy-3-pyridinyl)thiophene-2-carboxylic acid
CID 18801324

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid (CID 150344942) is 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid is NCc1ccc(-c2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is GSMKUXWEZNXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6H,7,13H2,(H,14,15).
What are the key properties of 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid?
5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 150344942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).