1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one

C24H34N6OS — CID 50825954

IUPAC1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCc1ccccc1-c1nc2sc(N3CCN(C(=O)CC(C)C)CC3)nn2c1NC(C)(C)C
InChIInChI=1S/C24H34N6OS/c1-16(2)15-19(31)28-11-13-29(14-12-28)23-27-30-21(26-24(4,5)6)20(25-22(30)32-23)18-10-8-7-9-17(18)3/h7-10,16,26H,11-15H2,1-6H3
InChIKeyGHNPKOGENDSPKP-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.67
Rot. Bonds5

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

1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 50825954) has the molecular formula C24H34N6OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID50825954
Molecular FormulaC24H34N6OS
Molecular Weight454.64 g/mol
Exact Mass454.25
IUPAC Name1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCc1ccccc1-c1nc2sc(N3CCN(C(=O)CC(C)C)CC3)nn2c1NC(C)(C)C
InChIInChI=1S/C24H34N6OS/c1-16(2)15-19(31)28-11-13-29(14-12-28)23-27-30-21(26-24(4,5)6)20(25-22(30)32-23)18-10-8-7-9-17(18)3/h7-10,16,26H,11-15H2,1-6H3
InChIKeyGHNPKOGENDSPKP-UHFFFAOYSA-N
XLogP4.67
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]benzonitrile
CID 50829792
ethyl 2-[[4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]amino]acetate
CID 50825572
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-phenylpiperazine-1-carboxamide
CID 50825542
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
N-[(2S)-butan-2-yl]-4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050355
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
N-tert-butyl-4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 50825382
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 50825558
N-[(2R)-butan-2-yl]-4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050342
ethyl 2-[[4-[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]amino]acetate
CID 50825544
[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
[4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-cyclobutylmethanone
CID 50825773

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one (CID 50825954) is 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one is Cc1ccccc1-c1nc2sc(N3CCN(C(=O)CC(C)C)CC3)nn2c1NC(C)(C)C.
What is the InChIKey of 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is GHNPKOGENDSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6OS/c1-16(2)15-19(31)28-11-13-29(14-12-28)23-27-30-21(26-24(4,5)6)20(25-22(30)32-23)18-10-8-7-9-17(18)3/h7-10,16,26H,11-15H2,1-6H3.
What are the key properties of 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 454.64 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(tert-butylamino)-6-(2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 50825954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).