1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C17H24N4O2S — CID 56812990

IUPAC1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESO=C(Cc1csc(N2CCNC2=O)n1)N1CCC2CCCCC2C1
InChIInChI=1S/C17H24N4O2S/c22-15(20-7-5-12-3-1-2-4-13(12)10-20)9-14-11-24-17(19-14)21-8-6-18-16(21)23/h11-13H,1-10H2,(H,18,23)
InChIKeyWZTHBNALLYNOPS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 56812990) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID56812990
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESO=C(Cc1csc(N2CCNC2=O)n1)N1CCC2CCCCC2C1
InChIInChI=1S/C17H24N4O2S/c22-15(20-7-5-12-3-1-2-4-13(12)10-20)9-14-11-24-17(19-14)21-8-6-18-16(21)23/h11-13H,1-10H2,(H,18,23)
InChIKeyWZTHBNALLYNOPS-UHFFFAOYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 94111290
1-[4-[2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 125146659
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94519611
1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 94487439
1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 75468883
N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55779179
tert-butyl (2S,5S)-2,5-dimethyl-4-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 97256056
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726516
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
N-(1-adamantyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75362669
1-[4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 95590157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 56812990) is 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is O=C(Cc1csc(N2CCNC2=O)n1)N1CCC2CCCCC2C1.
What is the InChIKey of 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is WZTHBNALLYNOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-15(20-7-5-12-3-1-2-4-13(12)10-20)9-14-11-24-17(19-14)21-8-6-18-16(21)23/h11-13H,1-10H2,(H,18,23).
What are the key properties of 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 348.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 56812990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).