6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C20H20N4S2 — CID 15954502

IUPAC6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1
InChIInChI=1S/C20H20N4S2/c1-3-8-15(9-4-1)18-16(14-23-11-5-2-6-12-23)24-20(21-18)26-19(22-24)17-10-7-13-25-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyMLPBSLYCBFGSJU-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.17
Rot. Bonds4

About 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 15954502) has the molecular formula C20H20N4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID15954502
Molecular FormulaC20H20N4S2
Molecular Weight380.54 g/mol
Exact Mass380.11
IUPAC Name6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1
InChIInChI=1S/C20H20N4S2/c1-3-8-15(9-4-1)18-16(14-23-11-5-2-6-12-23)24-20(21-18)26-19(22-24)17-10-7-13-25-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyMLPBSLYCBFGSJU-UHFFFAOYSA-N
XLogP5.17
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 15954502) is 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1.
What is the InChIKey of 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MLPBSLYCBFGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S2/c1-3-8-15(9-4-1)18-16(14-23-11-5-2-6-12-23)24-20(21-18)26-19(22-24)17-10-7-13-25-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2.
What are the key properties of 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 380.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 15954502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).