N-phenylthiophen-3-amine

C10H9NS — CID 12062345

IUPACN-phenylthiophen-3-amine
SMILESc1ccc(Nc2ccsc2)cc1
InChIInChI=1S/C10H9NS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8,11H
InChIKeyAACVIJSESUHQOI-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.49
Rot. Bonds2

About N-phenylthiophen-3-amine

N-phenylthiophen-3-amine (PubChem CID 12062345) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is N-phenylthiophen-3-amine.

Molecular Properties

Compound NameN-phenylthiophen-3-amine
PubChem CID12062345
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC NameN-phenylthiophen-3-amine
SMILESc1ccc(Nc2ccsc2)cc1
InChIInChI=1S/C10H9NS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8,11H
InChIKeyAACVIJSESUHQOI-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenylthiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenylthiophen-3-amine?
The IUPAC name of N-phenylthiophen-3-amine (CID 12062345) is N-phenylthiophen-3-amine.
What is the SMILES notation for N-phenylthiophen-3-amine?
The canonical SMILES for N-phenylthiophen-3-amine is c1ccc(Nc2ccsc2)cc1.
What is the InChIKey of N-phenylthiophen-3-amine?
The InChIKey is AACVIJSESUHQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8,11H.
What are the key properties of N-phenylthiophen-3-amine?
N-phenylthiophen-3-amine has a molecular weight of 175.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylthiophen-3-amine is sourced from PubChem (CID 12062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).