(1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H24ClN5S — CID 146805698

IUPAC(1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1c(-c2ccccc2Cl)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12
InChIInChI=1S/C24H24ClN5S/c1-15-20(18-8-4-5-9-19(18)25)27-22-30(15)28-23(31-22)29-12-10-24(11-13-29)14-16-6-2-3-7-17(16)21(24)26/h2-9,21H,10-14,26H2,1H3/t21-/m1/s1
InChIKeyRYZFZIVQGRYKFZ-OAQYLSRUSA-N
MW450.01 g/mol
LogP5.26
Rot. Bonds2

About (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146805698) has the molecular formula C24H24ClN5S and a molecular weight of 450.01 g/mol. Its IUPAC name is (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[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-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146805698
Molecular FormulaC24H24ClN5S
Molecular Weight450.01 g/mol
Exact Mass449.14
IUPAC Name(1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1c(-c2ccccc2Cl)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12
InChIInChI=1S/C24H24ClN5S/c1-15-20(18-8-4-5-9-19(18)25)27-22-30(15)28-23(31-22)29-12-10-24(11-13-29)14-16-6-2-3-7-17(16)21(24)26/h2-9,21H,10-14,26H2,1H3/t21-/m1/s1
InChIKeyRYZFZIVQGRYKFZ-OAQYLSRUSA-N
XLogP5.26
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.01
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[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-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146805698) is (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[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-(2-chlorophenyl)-5-methylimidazo[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-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1c(-c2ccccc2Cl)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12.
What is the InChIKey of (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is RYZFZIVQGRYKFZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24ClN5S/c1-15-20(18-8-4-5-9-19(18)25)27-22-30(15)28-23(31-22)29-12-10-24(11-13-29)14-16-6-2-3-7-17(16)21(24)26/h2-9,21H,10-14,26H2,1H3/t21-/m1/s1.
What are the key properties of (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 450.01 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146805698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).