4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

C9H12Br2N2OS — CID 80537078

IUPAC4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2OS/c1-12-3-4-13(2)9(14)7-5-6(10)8(11)15-7/h5,12H,3-4H2,1-2H3
InChIKeyAGKGGUZGVATVBD-UHFFFAOYSA-N
MW356.08 g/mol
LogP2.56
Rot. Bonds4

About 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (PubChem CID 80537078) has the molecular formula C9H12Br2N2OS and a molecular weight of 356.08 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
PubChem CID80537078
Molecular FormulaC9H12Br2N2OS
Molecular Weight356.08 g/mol
Exact Mass353.90
IUPAC Name4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2OS/c1-12-3-4-13(2)9(14)7-5-6(10)8(11)15-7/h5,12H,3-4H2,1-2H3
InChIKeyAGKGGUZGVATVBD-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (CID 80537078) is 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is CNCCN(C)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is AGKGGUZGVATVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2OS/c1-12-3-4-13(2)9(14)7-5-6(10)8(11)15-7/h5,12H,3-4H2,1-2H3.
What are the key properties of 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 356.08 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 80537078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).