6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C16H22N6S — CID 133279862

IUPAC6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCC(n4ccnc4)CC3)sc2n1
InChIInChI=1S/C16H22N6S/c1-16(2,3)13-10-22-14(18-13)23-15(19-22)20-7-4-12(5-8-20)21-9-6-17-11-21/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyHJZCEPZOTRVBBU-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.13
Rot. Bonds2

About 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133279862) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133279862
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCC(n4ccnc4)CC3)sc2n1
InChIInChI=1S/C16H22N6S/c1-16(2,3)13-10-22-14(18-13)23-15(19-22)20-7-4-12(5-8-20)21-9-6-17-11-21/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyHJZCEPZOTRVBBU-UHFFFAOYSA-N
XLogP3.13
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 97262688
[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-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133391235
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25493886
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
tert-butyl N-[(3R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133380896
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
CID 71935841
6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133279262
6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 31046288
6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133387898
(2S)-4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95330855
6-tert-butyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95305570

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 133279862) is 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)(C)c1cn2nc(N3CCC(n4ccnc4)CC3)sc2n1.
What is the InChIKey of 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HJZCEPZOTRVBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-16(2,3)13-10-22-14(18-13)23-15(19-22)20-7-4-12(5-8-20)21-9-6-17-11-21/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 330.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133279862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).