6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C18H17FN6S — CID 133275736

IUPAC6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCCC(n5cccn5)C4)sc3n2)cc1
InChIInChI=1S/C18H17FN6S/c19-14-6-4-13(5-7-14)16-12-25-17(21-16)26-18(22-25)23-9-1-3-15(11-23)24-10-2-8-20-24/h2,4-8,10,12,15H,1,3,9,11H2
InChIKeyUKONAKIRWNBSOG-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.63
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133275736) has the molecular formula C18H17FN6S and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133275736
Molecular FormulaC18H17FN6S
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC Name6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCCC(n5cccn5)C4)sc3n2)cc1
InChIInChI=1S/C18H17FN6S/c19-14-6-4-13(5-7-14)16-12-25-17(21-16)26-18(22-25)23-9-1-3-15(11-23)24-10-2-8-20-24/h2,4-8,10,12,15H,1,3,9,11H2
InChIKeyUKONAKIRWNBSOG-UHFFFAOYSA-N
XLogP3.63
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
CID 133274885
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
N-butyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 49431572
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133465339
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
2-(4-cyclohex-2-en-1-ylpiperazin-1-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 56574520
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942
N-[(2,3-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907112

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 133275736) is 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc(-c2cn3nc(N4CCCC(n5cccn5)C4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UKONAKIRWNBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6S/c19-14-6-4-13(5-7-14)16-12-25-17(21-16)26-18(22-25)23-9-1-3-15(11-23)24-10-2-8-20-24/h2,4-8,10,12,15H,1,3,9,11H2.
What are the key properties of 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 368.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133275736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).