tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate

C20H26N6O2S — CID 133496088

IUPACtert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1Nc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C20H26N6O2S/c1-13-7-9-25(19(27)28-20(2,3)4)11-15(13)22-17-24-26-12-16(23-18(26)29-17)14-6-5-8-21-10-14/h5-6,8,10,12-13,15H,7,9,11H2,1-4H3,(H,22,24)
InChIKeyIJNRBKDFHFQWMO-UHFFFAOYSA-N
MW414.54 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate

tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate (PubChem CID 133496088) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
PubChem CID133496088
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Nametert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1Nc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C20H26N6O2S/c1-13-7-9-25(19(27)28-20(2,3)4)11-15(13)22-17-24-26-12-16(23-18(26)29-17)14-6-5-8-21-10-14/h5-6,8,10,12-13,15H,7,9,11H2,1-4H3,(H,22,24)
InChIKeyIJNRBKDFHFQWMO-UHFFFAOYSA-N
XLogP3.91
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
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
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463703
tert-butyl 4-methyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 133496079
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate
CID 53397371
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate (CID 133496088) is tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate is CC1CCN(C(=O)OC(C)(C)C)CC1Nc1nn2cc(-c3cccnc3)nc2s1.
What is the InChIKey of tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is IJNRBKDFHFQWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-13-7-9-25(19(27)28-20(2,3)4)11-15(13)22-17-24-26-12-16(23-18(26)29-17)14-6-5-8-21-10-14/h5-6,8,10,12-13,15H,7,9,11H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 414.54 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 133496088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).