2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C16H9N5S — CID 82219377

IUPAC2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2sc(-c3ccccc3)nn12
InChIInChI=1S/C16H9N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h1-9H
InChIKeyZVWVOZBTDHIRRN-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.39
Rot. Bonds2

About 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219377) has the molecular formula C16H9N5S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219377
Molecular FormulaC16H9N5S
Molecular Weight303.35 g/mol
Exact Mass303.06
IUPAC Name2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2sc(-c3ccccc3)nn12
InChIInChI=1S/C16H9N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h1-9H
InChIKeyZVWVOZBTDHIRRN-UHFFFAOYSA-N
XLogP3.39
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003
2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961329
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 6472760
6-(furan-2-yl)-2-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219401
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219272
7-hydroxy-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135721986
2-(furan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219440
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219377) is 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is N#Cc1c(-c2ccncc2)nc2sc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is ZVWVOZBTDHIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 303.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).