4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile

C18H14N6S — CID 58285825

IUPAC4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1
InChIInChI=1S/C18H14N6S/c19-11-14-1-3-15(4-2-14)16-12-22-18-24(16)23-17(25-18)21-10-7-13-5-8-20-9-6-13/h1-6,8-9,12H,7,10H2,(H,21,23)
InChIKeyLYTCKPCOUIZJRO-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.38
Rot. Bonds5

About 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile

4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile (PubChem CID 58285825) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile
PubChem CID58285825
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1
InChIInChI=1S/C18H14N6S/c19-11-14-1-3-15(4-2-14)16-12-22-18-24(16)23-17(25-18)21-10-7-13-5-8-20-9-6-13/h1-6,8-9,12H,7,10H2,(H,21,23)
InChIKeyLYTCKPCOUIZJRO-UHFFFAOYSA-N
XLogP3.38
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile (CID 58285825) is 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1.
What is the InChIKey of 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile?
The InChIKey is LYTCKPCOUIZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S/c19-11-14-1-3-15(4-2-14)16-12-22-18-24(16)23-17(25-18)21-10-7-13-5-8-20-9-6-13/h1-6,8-9,12H,7,10H2,(H,21,23).
What are the key properties of 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile?
4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile has a molecular weight of 346.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzonitrile is sourced from PubChem (CID 58285825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).