(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C26H24N6S2 — CID 146466899

IUPAC(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc4cnsc34)c3nccn13)CC2
InChIInChI=1S/C26H24N6S2/c27-23-19-6-2-1-4-17(19)14-26(23)8-11-31(12-9-26)25-29-16-21(24-28-10-13-32(24)25)33-20-7-3-5-18-15-30-34-22(18)20/h1-7,10,13,15-16,23H,8-9,11-12,14,27H2/t23-/m1/s1
InChIKeyMSFASVHYEUXLEG-HSZRJFAPSA-N
MW484.65 g/mol
LogP5.33
Rot. Bonds3

About (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466899) has the molecular formula C26H24N6S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466899
Molecular FormulaC26H24N6S2
Molecular Weight484.65 g/mol
Exact Mass484.15
IUPAC Name(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc4cnsc34)c3nccn13)CC2
InChIInChI=1S/C26H24N6S2/c27-23-19-6-2-1-4-17(19)14-26(23)8-11-31(12-9-26)25-29-16-21(24-28-10-13-32(24)25)33-20-7-3-5-18-15-30-34-22(18)20/h1-7,10,13,15-16,23H,8-9,11-12,14,27H2/t23-/m1/s1
InChIKeyMSFASVHYEUXLEG-HSZRJFAPSA-N
XLogP5.33
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-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'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466899) is (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc4cnsc34)c3nccn13)CC2.
What is the InChIKey of (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is MSFASVHYEUXLEG-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N6S2/c27-23-19-6-2-1-4-17(19)14-26(23)8-11-31(12-9-26)25-29-16-21(24-28-10-13-32(24)25)33-20-7-3-5-18-15-30-34-22(18)20/h1-7,10,13,15-16,23H,8-9,11-12,14,27H2/t23-/m1/s1.
What are the key properties of (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 484.65 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(1,2-benzothiazol-7-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).