(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine

C10H8Br3NS2 — CID 107961099

IUPAC(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESCc1sc(Br)cc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C10H8Br3NS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9H,14H2,1H3
InChIKeyFDYKVUGLINWUHL-UHFFFAOYSA-N
MW446.03 g/mol
LogP5.45
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine

(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine (PubChem CID 107961099) has the molecular formula C10H8Br3NS2 and a molecular weight of 446.03 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
PubChem CID107961099
Molecular FormulaC10H8Br3NS2
Molecular Weight446.03 g/mol
Exact Mass442.76
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESCc1sc(Br)cc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C10H8Br3NS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9H,14H2,1H3
InChIKeyFDYKVUGLINWUHL-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.03
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
CID 114027953
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 114023500
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
[(2,5-dibromothiophen-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 107970684
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine (CID 107961099) is (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine is Cc1sc(Br)cc1C(N)c1cc(Br)sc1Br.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine?
The InChIKey is FDYKVUGLINWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3NS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9H,14H2,1H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine?
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine has a molecular weight of 446.03 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine is sourced from PubChem (CID 107961099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).