(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate

C15H8N4S — CID 122229422

IUPAC(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
SMILESN#CSc1c(-c2ccccc2)nc2ccc(C#N)cn12
InChIInChI=1S/C15H8N4S/c16-8-11-6-7-13-18-14(12-4-2-1-3-5-12)15(20-10-17)19(13)9-11/h1-7,9H
InChIKeyBOLCIUJWQWUQDK-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.45
Rot. Bonds2

About (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate

(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate (PubChem CID 122229422) has the molecular formula C15H8N4S and a molecular weight of 276.32 g/mol. Its IUPAC name is (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate.

Molecular Properties

Compound Name(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
PubChem CID122229422
Molecular FormulaC15H8N4S
Molecular Weight276.32 g/mol
Exact Mass276.05
IUPAC Name(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
SMILESN#CSc1c(-c2ccccc2)nc2ccc(C#N)cn12
InChIInChI=1S/C15H8N4S/c16-8-11-6-7-13-18-14(12-4-2-1-3-5-12)15(20-10-17)19(13)9-11/h1-7,9H
InChIKeyBOLCIUJWQWUQDK-UHFFFAOYSA-N
XLogP3.45
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
CID 155934343
(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
CID 162411635
2,3-dibromoimidazo[1,2-a]pyridine-6-carbonitrile
CID 126524032
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
CID 59384969
(6-phenyl-2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-5-yl) thiocyanate
CID 10520917
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937

Frequently Asked Questions

What is the IUPAC name of (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The IUPAC name of (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate (CID 122229422) is (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate.
What is the SMILES notation for (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The canonical SMILES for (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate is N#CSc1c(-c2ccccc2)nc2ccc(C#N)cn12.
What is the InChIKey of (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The InChIKey is BOLCIUJWQWUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4S/c16-8-11-6-7-13-18-14(12-4-2-1-3-5-12)15(20-10-17)19(13)9-11/h1-7,9H.
What are the key properties of (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate has a molecular weight of 276.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate is sourced from PubChem (CID 122229422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).