(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H24N4S — CID 139512021

IUPAC(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1
InChIInChI=1S/C22H24N4S/c1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23/h2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3/t20-/m1/s1
InChIKeyFAYYALOLEJWEEJ-HXUWFJFHSA-N
MW376.53 g/mol
LogP4.36
Rot. Bonds2

About (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 139512021) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID139512021
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1
InChIInChI=1S/C22H24N4S/c1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23/h2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3/t20-/m1/s1
InChIKeyFAYYALOLEJWEEJ-HXUWFJFHSA-N
XLogP4.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 139512021) is (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.
What is the InChIKey of (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is FAYYALOLEJWEEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4S/c1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23/h2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3/t20-/m1/s1.
What are the key properties of (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 376.53 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 139512021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).