5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane

C17H26BrN3OS — CID 156731984

IUPAC5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane
SMILESCC.CCCN(CCC)C(=O)C1=Cc2sc(Br)cc2N=C(N)C1
InChIInChI=1S/C15H20BrN3OS.C2H6/c1-3-5-19(6-4-2)15(20)10-7-12-11(9-13(16)21-12)18-14(17)8-10;1-2/h7,9H,3-6,8H2,1-2H3,(H2,17,18);1-2H3
InChIKeyZIYANHAOKQEAKE-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.96
Rot. Bonds5

About 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane

5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane (PubChem CID 156731984) has the molecular formula C17H26BrN3OS and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane.

Molecular Properties

Compound Name5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane
PubChem CID156731984
Molecular FormulaC17H26BrN3OS
Molecular Weight400.39 g/mol
Exact Mass399.10
IUPAC Name5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane
SMILESCC.CCCN(CCC)C(=O)C1=Cc2sc(Br)cc2N=C(N)C1
InChIInChI=1S/C15H20BrN3OS.C2H6/c1-3-5-19(6-4-2)15(20)10-7-12-11(9-13(16)21-12)18-14(17)8-10;1-2/h7,9H,3-6,8H2,1-2H3,(H2,17,18);1-2H3
InChIKeyZIYANHAOKQEAKE-UHFFFAOYSA-N
XLogP4.96
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane?
The IUPAC name of 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane (CID 156731984) is 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane.
What is the SMILES notation for 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane?
The canonical SMILES for 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane is CC.CCCN(CCC)C(=O)C1=Cc2sc(Br)cc2N=C(N)C1.
What is the InChIKey of 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane?
The InChIKey is ZIYANHAOKQEAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS.C2H6/c1-3-5-19(6-4-2)15(20)10-7-12-11(9-13(16)21-12)18-14(17)8-10;1-2/h7,9H,3-6,8H2,1-2H3,(H2,17,18);1-2H3.
What are the key properties of 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane?
5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane has a molecular weight of 400.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N,N-dipropyl-6H-thieno[3,2-b]azepine-7-carboxamide;ethane is sourced from PubChem (CID 156731984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).