2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C19H18N6S — CID 133462553

IUPAC2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(N2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)cc1
InChIInChI=1S/C19H18N6S/c1-2-6-16(7-3-1)23-9-11-24(12-10-23)19-22-25-14-17(21-18(25)26-19)15-5-4-8-20-13-15/h1-8,13-14H,9-12H2
InChIKeyJPGYOPFJRBZDLF-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133462553) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133462553
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(N2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)cc1
InChIInChI=1S/C19H18N6S/c1-2-6-16(7-3-1)23-9-11-24(12-10-23)19-22-25-14-17(21-18(25)26-19)15-5-4-8-20-13-15/h1-8,13-14H,9-12H2
InChIKeyJPGYOPFJRBZDLF-UHFFFAOYSA-N
XLogP3.18
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 133462553) is 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(N2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JPGYOPFJRBZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-2-6-16(7-3-1)23-9-11-24(12-10-23)19-22-25-14-17(21-18(25)26-19)15-5-4-8-20-13-15/h1-8,13-14H,9-12H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 362.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133462553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).