2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H22N2OS — CID 81115076

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCCc1csc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C14H22N2OS/c1-2-12-10-18-13(15-12)16-8-7-14(17)6-4-3-5-11(14)9-16/h10-11,17H,2-9H2,1H3
InChIKeyMSOAYJTUEHEHEA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81115076) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81115076
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCCc1csc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C14H22N2OS/c1-2-12-10-18-13(15-12)16-8-7-14(17)6-4-3-5-11(14)9-16/h10-11,17H,2-9H2,1H3
InChIKeyMSOAYJTUEHEHEA-UHFFFAOYSA-N
XLogP2.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115291
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
CID 74232019
2-[6-(aminomethyl)-3-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115487103
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
CID 81103547
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81115076) is 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is CCc1csc(N2CCC3(O)CCCCC3C2)n1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is MSOAYJTUEHEHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-12-10-18-13(15-12)16-8-7-14(17)6-4-3-5-11(14)9-16/h10-11,17H,2-9H2,1H3.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 266.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81115076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).