6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

C15H17N5S — CID 158163312

IUPAC6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C15H17N5S/c16-13-12(11-7-3-1-4-8-11)17-14-20(13)18-15(21-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2
InChIKeyYBCIOVMXTWJZIE-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.03
Rot. Bonds2

About 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 158163312) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID158163312
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C15H17N5S/c16-13-12(11-7-3-1-4-8-11)17-14-20(13)18-15(21-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2
InChIKeyYBCIOVMXTWJZIE-UHFFFAOYSA-N
XLogP3.03
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 158163312) is 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12.
What is the InChIKey of 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is YBCIOVMXTWJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-13-12(11-7-3-1-4-8-11)17-14-20(13)18-15(21-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2.
What are the key properties of 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 158163312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).