2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide

C10H14Br2N2OS — CID 103806921

IUPAC2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2N2OS/c1-6(4-13-2)5-14-10(15)7-3-8(11)16-9(7)12/h3,6,13H,4-5H2,1-2H3,(H,14,15)
InChIKeyKFQDFBKWXLCEPV-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.86
Rot. Bonds5

About 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide

2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide (PubChem CID 103806921) has the molecular formula C10H14Br2N2OS and a molecular weight of 370.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
PubChem CID103806921
Molecular FormulaC10H14Br2N2OS
Molecular Weight370.11 g/mol
Exact Mass367.92
IUPAC Name2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2N2OS/c1-6(4-13-2)5-14-10(15)7-3-8(11)16-9(7)12/h3,6,13H,4-5H2,1-2H3,(H,14,15)
InChIKeyKFQDFBKWXLCEPV-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
CID 107966027
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
CID 107965114
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2-bromo-N-[2-methyl-3-(methylamino)propyl]-5-nitrobenzamide
CID 115302619
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
CID 106339469

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide (CID 103806921) is 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide is CNCC(C)CNC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
The InChIKey is KFQDFBKWXLCEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2OS/c1-6(4-13-2)5-14-10(15)7-3-8(11)16-9(7)12/h3,6,13H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide?
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide has a molecular weight of 370.11 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 103806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).