3-bromo-N,N-diphenylthiophen-2-amine

C16H12BrNS — CID 167081658

IUPAC3-bromo-N,N-diphenylthiophen-2-amine
SMILESBrc1ccsc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12BrNS/c17-15-11-12-19-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyNKGWPTQNHVFZSI-UHFFFAOYSA-N
MW330.25 g/mol
LogP5.98
Rot. Bonds3

About 3-bromo-N,N-diphenylthiophen-2-amine

3-bromo-N,N-diphenylthiophen-2-amine (PubChem CID 167081658) has the molecular formula C16H12BrNS and a molecular weight of 330.25 g/mol. Its IUPAC name is 3-bromo-N,N-diphenylthiophen-2-amine.

Molecular Properties

Compound Name3-bromo-N,N-diphenylthiophen-2-amine
PubChem CID167081658
Molecular FormulaC16H12BrNS
Molecular Weight330.25 g/mol
Exact Mass328.99
IUPAC Name3-bromo-N,N-diphenylthiophen-2-amine
SMILESBrc1ccsc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12BrNS/c17-15-11-12-19-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyNKGWPTQNHVFZSI-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N,N-diphenylthiophen-2-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 3-bromo-N,N-diphenylthiophen-2-amine?
The IUPAC name of 3-bromo-N,N-diphenylthiophen-2-amine (CID 167081658) is 3-bromo-N,N-diphenylthiophen-2-amine.
What is the SMILES notation for 3-bromo-N,N-diphenylthiophen-2-amine?
The canonical SMILES for 3-bromo-N,N-diphenylthiophen-2-amine is Brc1ccsc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromo-N,N-diphenylthiophen-2-amine?
The InChIKey is NKGWPTQNHVFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS/c17-15-11-12-19-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 3-bromo-N,N-diphenylthiophen-2-amine?
3-bromo-N,N-diphenylthiophen-2-amine has a molecular weight of 330.25 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-diphenylthiophen-2-amine is sourced from PubChem (CID 167081658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).