[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone

C56H59F7N6O2S2 — CID 158058621

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccc(F)cc2)s1.Cc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)s1
InChIInChI=1S/C28H29F4N3OS.C28H30F3N3OS/c1-18-34-24(25(37-18)19-4-7-21(29)8-5-19)26(36)35-15-14-27(12-2-3-13-27)16-23(35)11-10-22-9-6-20(17-33-22)28(30,31)32;1-19-33-24(25(36-19)20-7-3-2-4-8-20)26(35)34-16-15-27(13-5-6-14-27)17-23(34)12-11-22-10-9-21(18-32-22)28(29,30)31/h4-9,17,23H,2-3,10-16H2,1H3;2-4,7-10,18,23H,5-6,11-17H2,1H3
InChIKeyFKJIBFNQSAJRDZ-UHFFFAOYSA-N
MW1045.25 g/mol
LogP14.80
Rot. Bonds10

About [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 158058621) has the molecular formula C56H59F7N6O2S2 and a molecular weight of 1045.25 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID158058621
Molecular FormulaC56H59F7N6O2S2
Molecular Weight1045.25 g/mol
Exact Mass1044.40
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccc(F)cc2)s1.Cc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)s1
InChIInChI=1S/C28H29F4N3OS.C28H30F3N3OS/c1-18-34-24(25(37-18)19-4-7-21(29)8-5-19)26(36)35-15-14-27(12-2-3-13-27)16-23(35)11-10-22-9-6-20(17-33-22)28(30,31)32;1-19-33-24(25(36-19)20-7-3-2-4-8-20)26(35)34-16-15-27(13-5-6-14-27)17-23(34)12-11-22-10-9-21(18-32-22)28(29,30)31/h4-9,17,23H,2-3,10-16H2,1H3;2-4,7-10,18,23H,5-6,11-17H2,1H3
InChIKeyFKJIBFNQSAJRDZ-UHFFFAOYSA-N
XLogP14.80
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.25
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118891980
2,2,2-trifluoro-1-[3-[2-(4-fluorophenoxy)ethyl]-4-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 10229819
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 10276421
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[3-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 123481519
[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 66899710
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 130342272
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 130341763
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(4-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 67157873
[(2S)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[5-(4-methoxyphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 167042725
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2,3,3-trimethylpiperidin-1-yl)methanone
CID 145079141

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone (CID 158058621) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone is Cc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccc(F)cc2)s1.Cc1nc(C(=O)N2CCC3(CCCC3)CC2CCc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is FKJIBFNQSAJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N3OS.C28H30F3N3OS/c1-18-34-24(25(37-18)19-4-7-21(29)8-5-19)26(36)35-15-14-27(12-2-3-13-27)16-23(35)11-10-22-9-6-20(17-33-22)28(30,31)32;1-19-33-24(25(36-19)20-7-3-2-4-8-20)26(35)34-16-15-27(13-5-6-14-27)17-23(34)12-11-22-10-9-21(18-32-22)28(29,30)31/h4-9,17,23H,2-3,10-16H2,1H3;2-4,7-10,18,23H,5-6,11-17H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 1045.25 g/mol, XLogP of 14.80, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[9-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 158058621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).