2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine

C11H9BrFNS — CID 114873444

IUPAC2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
SMILESCc1sc(Br)c(N)c1-c1cccc(F)c1
InChIInChI=1S/C11H9BrFNS/c1-6-9(10(14)11(12)15-6)7-3-2-4-8(13)5-7/h2-5H,14H2,1H3
InChIKeyBFLJTJRBYWAJIP-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.21
Rot. Bonds1

About 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine

2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine (PubChem CID 114873444) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine.

Molecular Properties

Compound Name2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
PubChem CID114873444
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
SMILESCc1sc(Br)c(N)c1-c1cccc(F)c1
InChIInChI=1S/C11H9BrFNS/c1-6-9(10(14)11(12)15-6)7-3-2-4-8(13)5-7/h2-5H,14H2,1H3
InChIKeyBFLJTJRBYWAJIP-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-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

Related Compounds

[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine
CID 114873424
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 81460309
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
5-(3-fluorophenyl)thiophen-2-amine
CID 20829953
3-amino-2-(3-fluorophenyl)phenol
CID 22173848
5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199575
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83913752
4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
CID 112694812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine?
The IUPAC name of 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine (CID 114873444) is 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine.
What is the SMILES notation for 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine?
The canonical SMILES for 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine is Cc1sc(Br)c(N)c1-c1cccc(F)c1.
What is the InChIKey of 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine?
The InChIKey is BFLJTJRBYWAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c1-6-9(10(14)11(12)15-6)7-3-2-4-8(13)5-7/h2-5H,14H2,1H3.
What are the key properties of 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine?
2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine has a molecular weight of 286.17 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine is sourced from PubChem (CID 114873444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).