3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C15H14BrN3S — CID 82841387

IUPAC3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3ccc(N)cc3Br)cn2c1
InChIInChI=1S/C15H14BrN3S/c1-10-2-5-15-18-12(8-19(15)7-10)9-20-14-4-3-11(17)6-13(14)16/h2-8H,9,17H2,1H3
InChIKeyJYMCPWYAKJAMHA-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.28
Rot. Bonds3

About 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 82841387) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID82841387
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3ccc(N)cc3Br)cn2c1
InChIInChI=1S/C15H14BrN3S/c1-10-2-5-15-18-12(8-19(15)7-10)9-20-14-4-3-11(17)6-13(14)16/h2-8H,9,17H2,1H3
InChIKeyJYMCPWYAKJAMHA-UHFFFAOYSA-N
XLogP4.28
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 82841387) is 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1ccc2nc(CSc3ccc(N)cc3Br)cn2c1.
What is the InChIKey of 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is JYMCPWYAKJAMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-10-2-5-15-18-12(8-19(15)7-10)9-20-14-4-3-11(17)6-13(14)16/h2-8H,9,17H2,1H3.
What are the key properties of 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 348.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 82841387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).