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

C18H20FN5OS — CID 133274885

IUPACN-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C18H20FN5OS/c1-12(25)20-9-13-3-2-8-23(10-13)18-22-24-11-16(21-17(24)26-18)14-4-6-15(19)7-5-14/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,25)
InChIKeyDRGSMRHUDFEOEK-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds4

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

N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide (PubChem CID 133274885) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
PubChem CID133274885
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC NameN-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C18H20FN5OS/c1-12(25)20-9-13-3-2-8-23(10-13)18-22-24-11-16(21-17(24)26-18)14-4-6-15(19)7-5-14/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,25)
InChIKeyDRGSMRHUDFEOEK-UHFFFAOYSA-N
XLogP2.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-butyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 49431572
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20907114
[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-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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
N-[(2,3-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907112
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133275736
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide (CID 133274885) is N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1.
What is the InChIKey of N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide?
The InChIKey is DRGSMRHUDFEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-12(25)20-9-13-3-2-8-23(10-13)18-22-24-11-16(21-17(24)26-18)14-4-6-15(19)7-5-14/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,25).
What are the key properties of N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide?
N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).