1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine

C12H11BrFNS2 — CID 79601723

IUPAC1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(F)cc1)c1cscc1Br
InChIInChI=1S/C12H11BrFNS2/c13-11-6-16-5-10(11)12(15)7-17-9-3-1-8(14)2-4-9/h1-6,12H,7,15H2
InChIKeyIVPISCQQYQZWAH-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.44
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine

1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 79601723) has the molecular formula C12H11BrFNS2 and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID79601723
Molecular FormulaC12H11BrFNS2
Molecular Weight332.26 g/mol
Exact Mass330.95
IUPAC Name1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(F)cc1)c1cscc1Br
InChIInChI=1S/C12H11BrFNS2/c13-11-6-16-5-10(11)12(15)7-17-9-3-1-8(14)2-4-9/h1-6,12H,7,15H2
InChIKeyIVPISCQQYQZWAH-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine 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

2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
[2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethyl]hydrazine
CID 105235884
1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
CID 107359831
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine (CID 79601723) is 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine is NC(CSc1ccc(F)cc1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is IVPISCQQYQZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS2/c13-11-6-16-5-10(11)12(15)7-17-9-3-1-8(14)2-4-9/h1-6,12H,7,15H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine?
1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 332.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 79601723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).