[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone

C25H34N6OS — CID 50825773

IUPAC[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone
SMILESCCc1ccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H34N6OS/c1-5-17-9-11-18(12-10-17)20-21(27-25(2,3)4)31-23(26-20)33-24(28-31)30-15-13-29(14-16-30)22(32)19-7-6-8-19/h9-12,19,27H,5-8,13-16H2,1-4H3
InChIKeyFJCLKUDFDZUTNY-UHFFFAOYSA-N
MW466.66 g/mol
LogP4.68
Rot. Bonds5

About [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone

[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 50825773) has the molecular formula C25H34N6OS and a molecular weight of 466.66 g/mol. Its IUPAC name is [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID50825773
Molecular FormulaC25H34N6OS
Molecular Weight466.66 g/mol
Exact Mass466.25
IUPAC Name[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone
SMILESCCc1ccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H34N6OS/c1-5-17-9-11-18(12-10-17)20-21(27-25(2,3)4)31-23(26-20)33-24(28-31)30-15-13-29(14-16-30)22(32)19-7-6-8-19/h9-12,19,27H,5-8,13-16H2,1-4H3
InChIKeyFJCLKUDFDZUTNY-UHFFFAOYSA-N
XLogP4.68
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 50825788
1-[4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-cyclohexylethanone
CID 50825900
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-phenylpiperazine-1-carboxamide
CID 50825542
N-cyclohexyl-6-(4-ethylphenyl)-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50825714
N-tert-butyl-6-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50825895
1-[4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 50825689
2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide
CID 50829778
cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone
CID 50825777
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 50825587
N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50825881
ethyl 2-[[4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]amino]acetate
CID 50825572
2-[4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 95050360

Frequently Asked Questions

What is the IUPAC name of [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone (CID 50825773) is [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone is CCc1ccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)cc1.
What is the InChIKey of [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is FJCLKUDFDZUTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6OS/c1-5-17-9-11-18(12-10-17)20-21(27-25(2,3)4)31-23(26-20)33-24(28-31)30-15-13-29(14-16-30)22(32)19-7-6-8-19/h9-12,19,27H,5-8,13-16H2,1-4H3.
What are the key properties of [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone?
[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 466.66 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 50825773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).