N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide

C13H16BrN3OS — CID 71922955

IUPACN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide
SMILESCC(=O)NCCCSCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C13H16BrN3OS/c1-10(18)15-5-2-6-19-9-12-8-17-7-11(14)3-4-13(17)16-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18)
InChIKeyAJBURHGOTWWIPN-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide

N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide (PubChem CID 71922955) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide
PubChem CID71922955
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC NameN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide
SMILESCC(=O)NCCCSCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C13H16BrN3OS/c1-10(18)15-5-2-6-19-9-12-8-17-7-11(14)3-4-13(17)16-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18)
InChIKeyAJBURHGOTWWIPN-UHFFFAOYSA-N
XLogP2.86
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide?
The IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide (CID 71922955) is N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide?
The canonical SMILES for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide is CC(=O)NCCCSCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide?
The InChIKey is AJBURHGOTWWIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-10(18)15-5-2-6-19-9-12-8-17-7-11(14)3-4-13(17)16-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18).
What are the key properties of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide?
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide has a molecular weight of 342.26 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide is sourced from PubChem (CID 71922955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).