(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H27N5S — CID 151033547

IUPAC(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CCCC4)nc3s1)CC2
InChIInChI=1S/C22H27N5S/c23-19-17-8-4-3-7-16(17)13-22(19)9-11-26(12-10-22)21-25-27-14-18(24-20(27)28-21)15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13,23H2/t19-/m1/s1
InChIKeyMAOPKFKWALWGDM-LJQANCHMSA-N
MW393.56 g/mol
LogP4.29
Rot. Bonds2

About (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 151033547) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID151033547
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CCCC4)nc3s1)CC2
InChIInChI=1S/C22H27N5S/c23-19-17-8-4-3-7-16(17)13-22(19)9-11-26(12-10-22)21-25-27-14-18(24-20(27)28-21)15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13,23H2/t19-/m1/s1
InChIKeyMAOPKFKWALWGDM-LJQANCHMSA-N
XLogP4.29
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 151033547) is (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CCCC4)nc3s1)CC2.
What is the InChIKey of (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is MAOPKFKWALWGDM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5S/c23-19-17-8-4-3-7-16(17)13-22(19)9-11-26(12-10-22)21-25-27-14-18(24-20(27)28-21)15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13,23H2/t19-/m1/s1.
What are the key properties of (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 393.56 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 151033547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).