3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine

C12H8BrClN4S — CID 156822807

IUPAC3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1SNc1nccn2c(Br)cnc12
InChIInChI=1S/C12H8BrClN4S/c13-10-7-16-12-11(15-5-6-18(10)12)17-19-9-4-2-1-3-8(9)14/h1-7H,(H,15,17)
InChIKeyIUOKERGXEDYZKP-UHFFFAOYSA-N
MW355.65 g/mol
LogP4.26
Rot. Bonds3

About 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine

3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 156822807) has the molecular formula C12H8BrClN4S and a molecular weight of 355.65 g/mol. Its IUPAC name is 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine
PubChem CID156822807
Molecular FormulaC12H8BrClN4S
Molecular Weight355.65 g/mol
Exact Mass353.93
IUPAC Name3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1SNc1nccn2c(Br)cnc12
InChIInChI=1S/C12H8BrClN4S/c13-10-7-16-12-11(15-5-6-18(10)12)17-19-9-4-2-1-3-8(9)14/h1-7H,(H,15,17)
InChIKeyIUOKERGXEDYZKP-UHFFFAOYSA-N
XLogP4.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.65
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine (CID 156822807) is 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine is Clc1ccccc1SNc1nccn2c(Br)cnc12.
What is the InChIKey of 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IUOKERGXEDYZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4S/c13-10-7-16-12-11(15-5-6-18(10)12)17-19-9-4-2-1-3-8(9)14/h1-7H,(H,15,17).
What are the key properties of 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine?
3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 355.65 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 156822807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).