[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C21H26N4O2S — CID 25493886

IUPAC[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-21(2,3)17-13-25-19(22-17)28-20(23-25)24-11-9-15(10-12-24)18(26)14-5-7-16(27-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3
InChIKeyPMIAECWAGZNBNK-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.20
Rot. Bonds4

About [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 25493886) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID25493886
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-21(2,3)17-13-25-19(22-17)28-20(23-25)24-11-9-15(10-12-24)18(26)14-5-7-16(27-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3
InChIKeyPMIAECWAGZNBNK-UHFFFAOYSA-N
XLogP4.20
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
6-tert-butyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 97262688
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862
tert-butyl N-[(3R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133380896
6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133391235
[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-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906944
N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906945
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
CID 71935841
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000

Frequently Asked Questions

What is the IUPAC name of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 25493886) is [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1.
What is the InChIKey of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PMIAECWAGZNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-21(2,3)17-13-25-19(22-17)28-20(23-25)24-11-9-15(10-12-24)18(26)14-5-7-16(27-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3.
What are the key properties of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 398.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 25493886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).