2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one

C20H24N2OS — CID 135989704

IUPAC2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILESCC1(c2ccccc2)S/C(=N/C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C20H24N2OS/c1-19(16-5-3-2-4-6-16)17(23)21-18(24-19)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h2-6,13-15H,7-12H2,1H3,(H,21,22,23)
InChIKeyHQRGQDFXMAJVFK-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.09
Rot. Bonds2

About 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one

2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135989704) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135989704
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILESCC1(c2ccccc2)S/C(=N/C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C20H24N2OS/c1-19(16-5-3-2-4-6-16)17(23)21-18(24-19)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h2-6,13-15H,7-12H2,1H3,(H,21,22,23)
InChIKeyHQRGQDFXMAJVFK-UHFFFAOYSA-N
XLogP4.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989057
5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143147192
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989507
2-(1-adamantylimino)-5-methyl-1,3-thiazinan-4-one
CID 137231890
2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 135783326
1-phenyladamantan-2-one
CID 14194605
(5S)-5-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 135989664
(5S)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one;(5R)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 159151855
5-[4-(aminomethyl)phenyl]-2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;ethane
CID 143467950
4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide
CID 135989728

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one (CID 135989704) is 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one is CC1(c2ccccc2)S/C(=N/C23CC4CC(CC(C4)C2)C3)NC1=O.
What is the InChIKey of 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HQRGQDFXMAJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-19(16-5-3-2-4-6-16)17(23)21-18(24-19)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h2-6,13-15H,7-12H2,1H3,(H,21,22,23).
What are the key properties of 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one?
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 340.49 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).