methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate

C13H13NO2S — CID 59786795

IUPACmethyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(N)c2)s1
InChIInChI=1S/C13H13NO2S/c1-16-13(15)8-11-5-6-12(17-11)9-3-2-4-10(14)7-9/h2-7H,8,14H2,1H3
InChIKeyQTFMAQJTMWHCRP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.71
Rot. Bonds3

About methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate

methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate (PubChem CID 59786795) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate
PubChem CID59786795
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namemethyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(N)c2)s1
InChIInChI=1S/C13H13NO2S/c1-16-13(15)8-11-5-6-12(17-11)9-3-2-4-10(14)7-9/h2-7H,8,14H2,1H3
InChIKeyQTFMAQJTMWHCRP-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate (CID 59786795) is methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(-c2cccc(N)c2)s1.
What is the InChIKey of methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate?
The InChIKey is QTFMAQJTMWHCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-13(15)8-11-5-6-12(17-11)9-3-2-4-10(14)7-9/h2-7H,8,14H2,1H3.
What are the key properties of methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate?
methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate has a molecular weight of 247.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-aminophenyl)thiophen-2-yl]acetate is sourced from PubChem (CID 59786795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).