(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine

C10H9Br2NS2 — CID 80532994

IUPAC(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C10H9Br2NS2/c1-5-2-3-7(14-5)9(13)8-4-6(11)10(12)15-8/h2-4,9H,13H2,1H3
InChIKeyMNNXUENAOYRUAE-UHFFFAOYSA-N
MW367.13 g/mol
LogP4.69
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine

(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 80532994) has the molecular formula C10H9Br2NS2 and a molecular weight of 367.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID80532994
Molecular FormulaC10H9Br2NS2
Molecular Weight367.13 g/mol
Exact Mass364.85
IUPAC Name(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C10H9Br2NS2/c1-5-2-3-7(14-5)9(13)8-4-6(11)10(12)15-8/h2-4,9H,13H2,1H3
InChIKeyMNNXUENAOYRUAE-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.13
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318815
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
5-[amino-(5-methylthiophen-2-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 62351849
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(5-bromofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 43464264
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine (CID 80532994) is (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2cc(Br)c(Br)s2)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is MNNXUENAOYRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NS2/c1-5-2-3-7(14-5)9(13)8-4-6(11)10(12)15-8/h2-4,9H,13H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 367.13 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 80532994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).