1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine

C11H12BrNS2 — CID 105134659

IUPAC1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)Cc1ccc(Br)s1
InChIInChI=1S/C11H12BrNS2/c12-11-2-1-10(15-11)6-9(13)5-8-3-4-14-7-8/h1-4,7,9H,5-6,13H2
InChIKeyANINPHSWPQQFMD-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.68
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105134659) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105134659
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)Cc1ccc(Br)s1
InChIInChI=1S/C11H12BrNS2/c12-11-2-1-10(15-11)6-9(13)5-8-3-4-14-7-8/h1-4,7,9H,5-6,13H2
InChIKeyANINPHSWPQQFMD-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-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

Related Compounds

1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079
(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
CID 87509827
3-(2,2-dibromoethyl)thiophene
CID 174416053
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
CID 106867617
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
1-thiophen-3-ylheptan-2-amine
CID 61077742
3-amino-4-thiophen-3-ylbutanoic acid;hydrochloride
CID 53397987

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine (CID 105134659) is 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine is NC(Cc1ccsc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is ANINPHSWPQQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c12-11-2-1-10(15-11)6-9(13)5-8-3-4-14-7-8/h1-4,7,9H,5-6,13H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 302.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105134659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).