1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone

C18H22N2O2S — CID 51648897

IUPAC1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C18H22N2O2S/c21-17(20-9-3-6-13-5-1-2-7-15(13)20)11-14-12-23-18(19-14)16-8-4-10-22-16/h4,8,10,12-13,15H,1-3,5-7,9,11H2/t13-,15+/m1/s1
InChIKeyWLTGVPPFUWPJRC-HIFRSBDPSA-N
MW330.45 g/mol
LogP4.13
Rot. Bonds3

About 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone

1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 51648897) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID51648897
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C18H22N2O2S/c21-17(20-9-3-6-13-5-1-2-7-15(13)20)11-14-12-23-18(19-14)16-8-4-10-22-16/h4,8,10,12-13,15H,1-3,5-7,9,11H2/t13-,15+/m1/s1
InChIKeyWLTGVPPFUWPJRC-HIFRSBDPSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 24664167
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569404
1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225688
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225684
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
N-cyclopropyl-2-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 55799986
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
(2S,3aS,7aR)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125138140
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158691
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132

Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 51648897) is 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone is O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@@H]21.
What is the InChIKey of 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is WLTGVPPFUWPJRC-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-17(20-9-3-6-13-5-1-2-7-15(13)20)11-14-12-23-18(19-14)16-8-4-10-22-16/h4,8,10,12-13,15H,1-3,5-7,9,11H2/t13-,15+/m1/s1.
What are the key properties of 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 51648897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).