tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate

C24H28N6O2S — CID 66748173

IUPACtert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1nn3cc(-c4cccc(C#N)c4)nc3s1)C2
InChIInChI=1S/C24H28N6O2S/c1-23(2,3)32-22(31)29-9-7-24(8-10-29)12-18(13-24)26-20-28-30-15-19(27-21(30)33-20)17-6-4-5-16(11-17)14-25/h4-6,11,15,18H,7-10,12-13H2,1-3H3,(H,26,28)
InChIKeyXCYUMPRQGKZZBF-UHFFFAOYSA-N
MW464.60 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 66748173) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID66748173
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Nametert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1nn3cc(-c4cccc(C#N)c4)nc3s1)C2
InChIInChI=1S/C24H28N6O2S/c1-23(2,3)32-22(31)29-9-7-24(8-10-29)12-18(13-24)26-20-28-30-15-19(27-21(30)33-20)17-6-4-5-16(11-17)14-25/h4-6,11,15,18H,7-10,12-13H2,1-3H3,(H,26,28)
InChIKeyXCYUMPRQGKZZBF-UHFFFAOYSA-N
XLogP4.92
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate 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

tert-butyl 2-[4-(3-cyanophenyl)phenyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 146471172
tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 133496088
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385
tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 77286814
tert-butyl 2-[[3-(3-cyanophenyl)-1-(oxan-4-yl)indol-6-yl]methylcarbamoyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 178117158
tert-butyl (3R)-4-[[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]carbamoyl]-3-methylpiperazine-1-carboxylate
CID 162688361
tert-butyl 5-(bromomethyl)-3-(3-cyanophenyl)pyrazole-1-carboxylate
CID 89082829
tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 176671261
tert-butyl 2-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 178050983
tert-butyl 4-(2-cyano-6-phenylpyrimidin-4-yl)piperazine-1-carboxylate
CID 58878050
tert-butyl 4-[6-(3-bromophenyl)-3-cyano-2-pyridinyl]piperazine-1-carboxylate
CID 16740643
4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221717

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate (CID 66748173) is tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(Nc1nn3cc(-c4cccc(C#N)c4)nc3s1)C2.
What is the InChIKey of tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is XCYUMPRQGKZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-23(2,3)32-22(31)29-9-7-24(8-10-29)12-18(13-24)26-20-28-30-15-19(27-21(30)33-20)17-6-4-5-16(11-17)14-25/h4-6,11,15,18H,7-10,12-13H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 464.60 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 66748173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).