N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine

C15H20BrN3S — CID 105139349

IUPACN-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1cc(C)nnc1C
InChIInChI=1S/C15H20BrN3S/c1-4-5-17-15(8-13-7-12(16)9-20-13)14-6-10(2)18-19-11(14)3/h6-7,9,15,17H,4-5,8H2,1-3H3
InChIKeyUBOHTSVMJZJVNL-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine

N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine (PubChem CID 105139349) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
PubChem CID105139349
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1cc(C)nnc1C
InChIInChI=1S/C15H20BrN3S/c1-4-5-17-15(8-13-7-12(16)9-20-13)14-6-10(2)18-19-11(14)3/h6-7,9,15,17H,4-5,8H2,1-3H3
InChIKeyUBOHTSVMJZJVNL-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-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

N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169282
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903
N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
CID 105165710
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 115847777

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine (CID 105139349) is N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1cc(C)nnc1C.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine?
The InChIKey is UBOHTSVMJZJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-4-5-17-15(8-13-7-12(16)9-20-13)14-6-10(2)18-19-11(14)3/h6-7,9,15,17H,4-5,8H2,1-3H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine has a molecular weight of 354.32 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105139349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).