1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

C12H9Br2NS3 — CID 80745440

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1cc2sccc2s1
InChIInChI=1S/C12H9Br2NS3/c1-15-11(9-4-6(13)12(14)18-9)10-5-8-7(17-10)2-3-16-8/h2-5,11,15H,1H3
InChIKeyXXXKNAYNSOTYRC-UHFFFAOYSA-N
MW423.22 g/mol
LogP5.86
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80745440) has the molecular formula C12H9Br2NS3 and a molecular weight of 423.22 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80745440
Molecular FormulaC12H9Br2NS3
Molecular Weight423.22 g/mol
Exact Mass420.83
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1cc2sccc2s1
InChIInChI=1S/C12H9Br2NS3/c1-15-11(9-4-6(13)12(14)18-9)10-5-8-7(17-10)2-3-16-8/h2-5,11,15H,1H3
InChIKeyXXXKNAYNSOTYRC-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.22
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine with MolForge

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105398856
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
CID 80733378
1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
[(4-bromo-1-methylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105342289
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80745440) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc(Br)c(Br)s1)c1cc2sccc2s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is XXXKNAYNSOTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NS3/c1-15-11(9-4-6(13)12(14)18-9)10-5-8-7(17-10)2-3-16-8/h2-5,11,15H,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 423.22 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80745440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).