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

C20H19BrN4S2 — CID 15954504

IUPAC6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1
InChIInChI=1S/C20H19BrN4S2/c21-15-8-6-14(7-9-15)18-16(13-24-10-2-1-3-11-24)25-20(22-18)27-19(23-25)17-5-4-12-26-17/h4-9,12H,1-3,10-11,13H2
InChIKeyXHGJNHKFSGGDLN-UHFFFAOYSA-N
MW459.44 g/mol
LogP5.93
Rot. Bonds4

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

6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 15954504) has the molecular formula C20H19BrN4S2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID15954504
Molecular FormulaC20H19BrN4S2
Molecular Weight459.44 g/mol
Exact Mass458.02
IUPAC Name6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1
InChIInChI=1S/C20H19BrN4S2/c21-15-8-6-14(7-9-15)18-16(13-24-10-2-1-3-11-24)25-20(22-18)27-19(23-25)17-5-4-12-26-17/h4-9,12H,1-3,10-11,13H2
InChIKeyXHGJNHKFSGGDLN-UHFFFAOYSA-N
XLogP5.93
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol
CID 67123000
6-naphthalen-2-yl-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 44615645
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499
3-(azepan-1-ylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 47001103
(5Z)-5-[[6-(4-methylphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72793646
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312529
4-[(5-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 50803415
(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72793647
3-(azepan-1-ylmethyl)-6-(3-iodophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56736863
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312078
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 15954504) is 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Brc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCCC2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XHGJNHKFSGGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4S2/c21-15-8-6-14(7-9-15)18-16(13-24-10-2-1-3-11-24)25-20(22-18)27-19(23-25)17-5-4-12-26-17/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 459.44 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 15954504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).