N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

C12H12BrCl2NS2 — CID 114021153

IUPACN-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12BrCl2NS2/c1-2-3-16-11(7-4-9(13)17-6-7)8-5-10(14)18-12(8)15/h4-6,11,16H,2-3H2,1H3
InChIKeyICHWKLFMMOUDLA-UHFFFAOYSA-N
MW385.18 g/mol
LogP5.97
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine

N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (PubChem CID 114021153) has the molecular formula C12H12BrCl2NS2 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
PubChem CID114021153
Molecular FormulaC12H12BrCl2NS2
Molecular Weight385.18 g/mol
Exact Mass382.90
IUPAC NameN-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H12BrCl2NS2/c1-2-3-16-11(7-4-9(13)17-6-7)8-5-10(14)18-12(8)15/h4-6,11,16H,2-3H2,1H3
InChIKeyICHWKLFMMOUDLA-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]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-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[(2,5-dichlorothiophen-3-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820113
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 106764663
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
N-[(5-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497754
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105167470
N-[(5-bromothiophen-3-yl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 105142114
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine (CID 114021153) is N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(Br)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is ICHWKLFMMOUDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NS2/c1-2-3-16-11(7-4-9(13)17-6-7)8-5-10(14)18-12(8)15/h4-6,11,16H,2-3H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine?
N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 385.18 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).