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

C20H23N5S — CID 152506660

IUPAC(1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CC4)nc3s1)CC2
InChIInChI=1S/C20H23N5S/c21-17-15-4-2-1-3-14(15)11-20(17)7-9-24(10-8-20)19-23-25-12-16(13-5-6-13)22-18(25)26-19/h1-4,12-13,17H,5-11,21H2/t17-/m1/s1
InChIKeyYEPOFFVFCKSFLX-QGZVFWFLSA-N
MW365.51 g/mol
LogP3.51
Rot. Bonds2

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

(1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 152506660) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is (1S)-1'-(6-cyclopropylimidazo[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-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID152506660
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name(1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CC4)nc3s1)CC2
InChIInChI=1S/C20H23N5S/c21-17-15-4-2-1-3-14(15)11-20(17)7-9-24(10-8-20)19-23-25-12-16(13-5-6-13)22-18(25)26-19/h1-4,12-13,17H,5-11,21H2/t17-/m1/s1
InChIKeyYEPOFFVFCKSFLX-QGZVFWFLSA-N
XLogP3.51
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[5-(4-Fluoro-2-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 168290740
US10934302, Example 252
CID 151033547
N-(1-benzylpiperidin-4-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 33973065
US10934302, Example 207
CID 156119554
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748167
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748168
N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748169
6-(4-Fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 68658396
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 55854063
2-(4-Cyclohex-2-en-1-ylpiperazin-1-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 56574520
6-(4-fluorophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 60500505
6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75405190

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(6-cyclopropylimidazo[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-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 152506660) is (1S)-1'-(6-cyclopropylimidazo[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-cyclopropylimidazo[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-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1nn3cc(C4CC4)nc3s1)CC2.
What is the InChIKey of (1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is YEPOFFVFCKSFLX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5S/c21-17-15-4-2-1-3-14(15)11-20(17)7-9-24(10-8-20)19-23-25-12-16(13-5-6-13)22-18(25)26-19/h1-4,12-13,17H,5-11,21H2/t17-/m1/s1.
What are the key properties of (1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 365.51 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 152506660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).