2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid

C14H12N2O2S — CID 82488540

IUPAC2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
SMILESCc1sc(N)c(C(=O)O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-7-11(12(14(17)18)13(15)19-7)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,15H2,1H3,(H,17,18)
InChIKeyUJELTQSMBGGRIT-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.49
Rot. Bonds2

About 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid

2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid (PubChem CID 82488540) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
PubChem CID82488540
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
SMILESCc1sc(N)c(C(=O)O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-7-11(12(14(17)18)13(15)19-7)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,15H2,1H3,(H,17,18)
InChIKeyUJELTQSMBGGRIT-UHFFFAOYSA-N
XLogP3.49
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373555
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82299159
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024
2-(1H-indol-3-yl)aniline
CID 25210227
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
methane;3-phenyl-1H-indole
CID 167711687

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid (CID 82488540) is 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid is Cc1sc(N)c(C(=O)O)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid?
The InChIKey is UJELTQSMBGGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-7-11(12(14(17)18)13(15)19-7)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid?
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 82488540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).