2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one

C15H23NOS — CID 5234584

IUPAC2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one
SMILESCCC1(C23CC4CC(CC(C4)C2)C3)NC(=O)CS1
InChIInChI=1S/C15H23NOS/c1-2-15(16-13(17)9-18-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyPPHRSZCIJIHCSB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.17
Rot. Bonds2

About 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one

2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one (PubChem CID 5234584) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one
PubChem CID5234584
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one
SMILESCCC1(C23CC4CC(CC(C4)C2)C3)NC(=O)CS1
InChIInChI=1S/C15H23NOS/c1-2-15(16-13(17)9-18-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyPPHRSZCIJIHCSB-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one
CID 712289
5-Methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
CID 2828161
2-(1-Adamantyl)-1,3-thiazolidin-4-one
CID 6620944
Adamantylmethylthiazolidin-4-one
CID 129870604
N-(1-adamantyl)-2-butylsulfanylacetamide
CID 3354791
[2-(1-Adamantylamino)-2-oxoethyl]-dimethylsulfanium
CID 23535009
S-[3-(1-adamantylamino)-3-oxopropyl] ethanethioate
CID 54507395
(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
CID 767000
(5R)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
CID 767001
2-(1-Adamantyl)-2-methyl-1,3-thiazolidin-4-one
CID 2828188
N-(1-adamantyl)-2-cyclopentylsulfanylacetamide
CID 4821442
N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 4822005

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one (CID 5234584) is 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one is CCC1(C23CC4CC(CC(C4)C2)C3)NC(=O)CS1.
What is the InChIKey of 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one?
The InChIKey is PPHRSZCIJIHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-15(16-13(17)9-18-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one?
2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one has a molecular weight of 265.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5234584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).