2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine

C11H9Br3N2S — CID 66385925

IUPAC2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H9Br3N2S/c12-6-3-7(13)11(8(14)4-6)16-5-10-9(15)1-2-17-10/h1-4,16H,5,15H2
InChIKeyFIDAUNPTJVAASK-UHFFFAOYSA-N
MW440.99 g/mol
LogP5.23
Rot. Bonds3

About 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine

2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine (PubChem CID 66385925) has the molecular formula C11H9Br3N2S and a molecular weight of 440.99 g/mol. Its IUPAC name is 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
PubChem CID66385925
Molecular FormulaC11H9Br3N2S
Molecular Weight440.99 g/mol
Exact Mass437.80
IUPAC Name2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H9Br3N2S/c12-6-3-7(13)11(8(14)4-6)16-5-10-9(15)1-2-17-10/h1-4,16H,5,15H2
InChIKeyFIDAUNPTJVAASK-UHFFFAOYSA-N
XLogP5.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.99
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine (CID 66385925) is 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine?
The InChIKey is FIDAUNPTJVAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br3N2S/c12-6-3-7(13)11(8(14)4-6)16-5-10-9(15)1-2-17-10/h1-4,16H,5,15H2.
What are the key properties of 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine?
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine has a molecular weight of 440.99 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).