[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone

C21H24FN5OS — CID 20906770

IUPAC[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)N1CCCCC1
InChIInChI=1S/C21H24FN5OS/c22-17-6-4-15(5-7-17)18-14-27-20(23-18)29-21(24-27)26-12-8-16(9-13-26)19(28)25-10-2-1-3-11-25/h4-7,14,16H,1-3,8-13H2
InChIKeyLKVPNTBDPJASHT-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.83
Rot. Bonds3

About [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 20906770) has the molecular formula C21H24FN5OS and a molecular weight of 413.52 g/mol. Its IUPAC name is [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID20906770
Molecular FormulaC21H24FN5OS
Molecular Weight413.52 g/mol
Exact Mass413.17
IUPAC Name[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)N1CCCCC1
InChIInChI=1S/C21H24FN5OS/c22-17-6-4-15(5-7-17)18-14-27-20(23-18)29-21(24-27)26-12-8-16(9-13-26)19(28)25-10-2-1-3-11-25/h4-7,14,16H,1-3,8-13H2
InChIKeyLKVPNTBDPJASHT-UHFFFAOYSA-N
XLogP3.83
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
(4-methyl-1,4-diazepan-1-yl)-[1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone
CID 135186598
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide
CID 55915881
[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20906917
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906813
2-amino-1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119860737

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 20906770) is [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)N1CCCCC1.
What is the InChIKey of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is LKVPNTBDPJASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5OS/c22-17-6-4-15(5-7-17)18-14-27-20(23-18)29-21(24-27)26-12-8-16(9-13-26)19(28)25-10-2-1-3-11-25/h4-7,14,16H,1-3,8-13H2.
What are the key properties of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 413.52 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20906770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).