5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H15N5S — CID 58285806

IUPAC5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1
InChIInChI=1S/C17H15N5S/c1-2-4-14(5-3-1)15-12-20-17-22(15)21-16(23-17)19-11-8-13-6-9-18-10-7-13/h1-7,9-10,12H,8,11H2,(H,19,21)
InChIKeyIFZROJBLIOJVID-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.51
Rot. Bonds5

About 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285806) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285806
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1
InChIInChI=1S/C17H15N5S/c1-2-4-14(5-3-1)15-12-20-17-22(15)21-16(23-17)19-11-8-13-6-9-18-10-7-13/h1-7,9-10,12H,8,11H2,(H,19,21)
InChIKeyIFZROJBLIOJVID-UHFFFAOYSA-N
XLogP3.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285806) is 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1.
What is the InChIKey of 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IFZROJBLIOJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-2-4-14(5-3-1)15-12-20-17-22(15)21-16(23-17)19-11-8-13-6-9-18-10-7-13/h1-7,9-10,12H,8,11H2,(H,19,21).
What are the key properties of 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).