3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid

C12H11NO2S — CID 83036382

IUPAC3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1cccc(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-2-4-8(5-7)10-6-9(13)11(16-10)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyNTTLGVFFHRBLEC-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.00
Rot. Bonds2

About 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid

3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 83036382) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
PubChem CID83036382
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1cccc(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-2-4-8(5-7)10-6-9(13)11(16-10)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyNTTLGVFFHRBLEC-UHFFFAOYSA-N
XLogP3.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CID 2777492
5-(4-Fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
CID 9543495
5'-Acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid
CID 9543496
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
2-Amino-5-phenyl-thiophene-3-carboxylic acid
CID 724916
Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
CID 619692
Methyl 3-amino-5-phenylthiophene-2-carboxylate
CID 700562
3-(2,4-Dimethyl-benzenesulfonylamino)-5-phenyl-thiophene-2-carboxylic acid
CID 503526
5-(4-Acetylphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 506524
3-[[(2,4-Dimethylphenyl)-methoxyphosphoryl]amino]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 59481621
5-[4-(2-Cyclopropylethynyl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]thiophene-2-carboxylic acid
CID 59481790
Ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate
CID 4715204

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid (CID 83036382) is 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid is Cc1cccc(-c2cc(N)c(C(=O)O)s2)c1.
What is the InChIKey of 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is NTTLGVFFHRBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-3-2-4-8(5-7)10-6-9(13)11(16-10)12(14)15/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid?
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83036382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).