(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

C28H34N6S — CID 159252841

IUPAC(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.Cc1c(N2CCCc3ccccc32)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12
InChIInChI=1S/C27H30N6S.CH4/c1-18-24(32-14-6-9-19-7-3-5-11-22(19)32)29-25-33(18)30-26(34-25)31-15-12-27(13-16-31)17-20-8-2-4-10-21(20)23(27)28;/h2-5,7-8,10-11,23H,6,9,12-17,28H2,1H3;1H4/t23-;/m1./s1
InChIKeyKVNDKVWPJLDEJP-GNAFDRTKSA-N
MW486.69 g/mol
LogP5.66
Rot. Bonds2

About (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (PubChem CID 159252841) has the molecular formula C28H34N6S and a molecular weight of 486.69 g/mol. Its IUPAC name is (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.

Molecular Properties

Compound Name(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
PubChem CID159252841
Molecular FormulaC28H34N6S
Molecular Weight486.69 g/mol
Exact Mass486.26
IUPAC Name(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.Cc1c(N2CCCc3ccccc32)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12
InChIInChI=1S/C27H30N6S.CH4/c1-18-24(32-14-6-9-19-7-3-5-11-22(19)32)29-25-33(18)30-26(34-25)31-15-12-27(13-16-31)17-20-8-2-4-10-21(20)23(27)28;/h2-5,7-8,10-11,23H,6,9,12-17,28H2,1H3;1H4/t23-;/m1./s1
InChIKeyKVNDKVWPJLDEJP-GNAFDRTKSA-N
XLogP5.66
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1S)-1'-[2-(3,4-dihydro-2H-quinolin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100673
(1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 152506660
(1S)-1'-[6-(2,3-dichlorophenyl)-5-fluoroimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100628
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100553
[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-methylpyrazin-2-yl]-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 170682916
(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane
CID 160631140
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol
CID 160631141
methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
CID 155774294
1'-methylsulfonylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155649406
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The IUPAC name of (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (CID 159252841) is (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.
What is the SMILES notation for (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The canonical SMILES for (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is C.Cc1c(N2CCCc3ccccc32)nc2sc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn12.
What is the InChIKey of (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The InChIKey is KVNDKVWPJLDEJP-GNAFDRTKSA-N. The full InChI is InChI=1S/C27H30N6S.CH4/c1-18-24(32-14-6-9-19-7-3-5-11-22(19)32)29-25-33(18)30-26(34-25)31-15-12-27(13-16-31)17-20-8-2-4-10-21(20)23(27)28;/h2-5,7-8,10-11,23H,6,9,12-17,28H2,1H3;1H4/t23-;/m1./s1.
What are the key properties of (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane has a molecular weight of 486.69 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is sourced from PubChem (CID 159252841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).