2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine

C23H38F3N3S — CID 171470445

IUPAC2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine
SMILESCCCC1NCC(C2CCCC3NC(C4CNC5C(F)C(F)C(F)CC45)CCC32)S1
InChIInChI=1S/C23H38F3N3S/c1-2-4-20-27-11-19(30-20)13-5-3-6-17-12(13)7-8-18(29-17)15-10-28-23-14(15)9-16(24)21(25)22(23)26/h12-23,27-29H,2-11H2,1H3
InChIKeyARXQYECHIBTZGO-UHFFFAOYSA-N
MW445.64 g/mol
LogP3.98
Rot. Bonds4

About 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine

2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine (PubChem CID 171470445) has the molecular formula C23H38F3N3S and a molecular weight of 445.64 g/mol. Its IUPAC name is 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine
PubChem CID171470445
Molecular FormulaC23H38F3N3S
Molecular Weight445.64 g/mol
Exact Mass445.27
IUPAC Name2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine
SMILESCCCC1NCC(C2CCCC3NC(C4CNC5C(F)C(F)C(F)CC45)CCC32)S1
InChIInChI=1S/C23H38F3N3S/c1-2-4-20-27-11-19(30-20)13-5-3-6-17-12(13)7-8-18(29-17)15-10-28-23-14(15)9-16(24)21(25)22(23)26/h12-23,27-29H,2-11H2,1H3
InChIKeyARXQYECHIBTZGO-UHFFFAOYSA-N
XLogP3.98
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine with MolForge

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Related Compounds

10-azatricyclo[5.2.1.02,6]decane
CID 130391694
5-methyl-2-propyl-1,3-thiazolidine
CID 66243686
(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 56935634
7-ethyl-6-azabicyclo[3.2.0]heptane
CID 153054846
40,41,42,43,44-pentazanonacyclo[31.6.1.13,10.112,16.118,25.127,31.04,9.019,24.034,39]tetratetracontane
CID 173466045
1,2-difluorocyclopentane;propane
CID 171503216
9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
4,10-diazatricyclo[5.2.1.02,6]decane
CID 118273688
(2S)-6-azatricyclo[3.2.0.02,4]heptane
CID 163535708
ethyl 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
CID 170905947
(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane
CID 170300771
2,5-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 85289021

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine?
The IUPAC name of 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine (CID 171470445) is 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine.
What is the SMILES notation for 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine?
The canonical SMILES for 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine is CCCC1NCC(C2CCCC3NC(C4CNC5C(F)C(F)C(F)CC45)CCC32)S1.
What is the InChIKey of 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine?
The InChIKey is ARXQYECHIBTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F3N3S/c1-2-4-20-27-11-19(30-20)13-5-3-6-17-12(13)7-8-18(29-17)15-10-28-23-14(15)9-16(24)21(25)22(23)26/h12-23,27-29H,2-11H2,1H3.
What are the key properties of 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine?
2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine has a molecular weight of 445.64 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[2-(5,6,7-trifluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]-1,3-thiazolidine is sourced from PubChem (CID 171470445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).