(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

C23H20Cl2FN5S — CID 169100628

IUPAC(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3c(F)c(-c4cccc(Cl)c4Cl)nc3s1)CC2
InChIInChI=1S/C23H20Cl2FN5S/c24-16-7-3-6-15(17(16)25)18-20(26)31-21(28-18)32-22(29-31)30-10-8-23(9-11-30)12-13-4-1-2-5-14(13)19(23)27/h1-7,19H,8-12,27H2/t19-/m1/s1
InChIKeyHHPNXJLGORLNAT-LJQANCHMSA-N
MW488.42 g/mol
LogP5.75
Rot. Bonds2

About (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

(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 (PubChem CID 169100628) has the molecular formula C23H20Cl2FN5S and a molecular weight of 488.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169100628
Molecular FormulaC23H20Cl2FN5S
Molecular Weight488.42 g/mol
Exact Mass487.08
IUPAC Name(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nn3c(F)c(-c4cccc(Cl)c4Cl)nc3s1)CC2
InChIInChI=1S/C23H20Cl2FN5S/c24-16-7-3-6-15(17(16)25)18-20(26)31-21(28-18)32-22(29-31)30-10-8-23(9-11-30)12-13-4-1-2-5-14(13)19(23)27/h1-7,19H,8-12,27H2/t19-/m1/s1
InChIKeyHHPNXJLGORLNAT-LJQANCHMSA-N
XLogP5.75
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1c2ccccc2CC12CCN(c1nn3c(F)c(-c4cccc(Cl)c4Cl)nc3s1)CC2.
What is the InChIKey of (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?
The InChIKey is HHPNXJLGORLNAT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20Cl2FN5S/c24-16-7-3-6-15(17(16)25)18-20(26)31-21(28-18)32-22(29-31)30-10-8-23(9-11-30)12-13-4-1-2-5-14(13)19(23)27/h1-7,19H,8-12,27H2/t19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 488.42 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-(2,3-dichlorophenyl)-5-fluoroimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).