1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine

C13H9Br2NS2 — CID 80532944

IUPAC1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc2ccccc2s1
InChIInChI=1S/C13H9Br2NS2/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2
InChIKeyHZHXLOANXXOECS-UHFFFAOYSA-N
MW403.16 g/mol
LogP5.54
Rot. Bonds2

About 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine

1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 80532944) has the molecular formula C13H9Br2NS2 and a molecular weight of 403.16 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID80532944
Molecular FormulaC13H9Br2NS2
Molecular Weight403.16 g/mol
Exact Mass400.85
IUPAC Name1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc2ccccc2s1
InChIInChI=1S/C13H9Br2NS2/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2
InChIKeyHZHXLOANXXOECS-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.16
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
1-benzothiophen-2-yl-(3-bromo-5-chloro-2-methoxyphenyl)methanamine
CID 61407060
1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
CID 61406696
1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653581
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine (CID 80532944) is 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine is NC(c1cc(Br)c(Br)s1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is HZHXLOANXXOECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NS2/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2.
What are the key properties of 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine?
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 403.16 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 80532944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).