3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine

C14H12N2OS — CID 90718030

IUPAC3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine
SMILESNc1cccc(-c2cc(-c3ccco3)sc2N)c1
InChIInChI=1S/C14H12N2OS/c15-10-4-1-3-9(7-10)11-8-13(18-14(11)16)12-5-2-6-17-12/h1-8H,15-16H2
InChIKeyPAXRLYGBETXOCK-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.84
Rot. Bonds2

About 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine

3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine (PubChem CID 90718030) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine
PubChem CID90718030
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine
SMILESNc1cccc(-c2cc(-c3ccco3)sc2N)c1
InChIInChI=1S/C14H12N2OS/c15-10-4-1-3-9(7-10)11-8-13(18-14(11)16)12-5-2-6-17-12/h1-8H,15-16H2
InChIKeyPAXRLYGBETXOCK-UHFFFAOYSA-N
XLogP3.84
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
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 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine?
The IUPAC name of 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine (CID 90718030) is 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine is Nc1cccc(-c2cc(-c3ccco3)sc2N)c1.
What is the InChIKey of 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine?
The InChIKey is PAXRLYGBETXOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-10-4-1-3-9(7-10)11-8-13(18-14(11)16)12-5-2-6-17-12/h1-8H,15-16H2.
What are the key properties of 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine?
3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-(furan-2-yl)thiophen-2-amine is sourced from PubChem (CID 90718030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).