N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H26N6S — CID 133463703

IUPACN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(-c3cccnc3)nc2s1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C20H26N6S/c1-14(16-6-4-10-25(12-16)17-7-2-8-17)22-19-24-26-13-18(23-20(26)27-19)15-5-3-9-21-11-15/h3,5,9,11,13-14,16-17H,2,4,6-8,10,12H2,1H3,(H,22,24)
InChIKeyHPLKKHYETUBMIG-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133463703) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133463703
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC NameN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(-c3cccnc3)nc2s1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C20H26N6S/c1-14(16-6-4-10-25(12-16)17-7-2-8-17)22-19-24-26-13-18(23-20(26)27-19)15-5-3-9-21-11-15/h3,5,9,11,13-14,16-17H,2,4,6-8,10,12H2,1H3,(H,22,24)
InChIKeyHPLKKHYETUBMIG-UHFFFAOYSA-N
XLogP3.92
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654
2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
2-(4-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 133476321
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 133496088
1-[[2-[[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 133463715
N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463161
1-[8-fluoro-5-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133476121
3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
CID 133497389
2-(4-chloro-3-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 133463081

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133463703) is N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(Nc1nn2cc(-c3cccnc3)nc2s1)C1CCCN(C2CCC2)C1.
What is the InChIKey of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HPLKKHYETUBMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S/c1-14(16-6-4-10-25(12-16)17-7-2-8-17)22-19-24-26-13-18(23-20(26)27-19)15-5-3-9-21-11-15/h3,5,9,11,13-14,16-17H,2,4,6-8,10,12H2,1H3,(H,22,24).
What are the key properties of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 382.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133463703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).