2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one

C15H26N2OS — CID 58048393

IUPAC2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one
SMILESCN(C)C1(C)SC(CC2CCCCCCC2)=NC1=O
InChIInChI=1S/C15H26N2OS/c1-15(17(2)3)14(18)16-13(19-15)11-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3
InChIKeyCLZALKTUKDKJAU-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.69
Rot. Bonds3

About 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one

2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one (PubChem CID 58048393) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one
PubChem CID58048393
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one
SMILESCN(C)C1(C)SC(CC2CCCCCCC2)=NC1=O
InChIInChI=1S/C15H26N2OS/c1-15(17(2)3)14(18)16-13(19-15)11-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3
InChIKeyCLZALKTUKDKJAU-UHFFFAOYSA-N
XLogP3.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctylmethyl)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
CID 58048080
2-(cyclooctylmethyl)-7-methoxy-1-thia-3-azaspiro[4.5]dec-2-en-4-one
CID 58048223
2-[(5-hydroxy-5-methylcyclooctyl)methyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
CID 58048361
5-(cyclohexylmethyl)imidazole-2,4-dione
CID 141042921
2-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-4-amine
CID 154476340
2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole
CID 123254253
2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one
CID 58048173
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete
CID 143711059
2-[tert-butyl(methyl)amino]-5-(cyclohexylmethyl)-5,6-dihydro-1,3-thiazin-4-one
CID 59485312
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933682

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one?
The IUPAC name of 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one (CID 58048393) is 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one?
The canonical SMILES for 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one is CN(C)C1(C)SC(CC2CCCCCCC2)=NC1=O.
What is the InChIKey of 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one?
The InChIKey is CLZALKTUKDKJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(17(2)3)14(18)16-13(19-15)11-12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one?
2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one has a molecular weight of 282.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-5-(dimethylamino)-5-methyl-1,3-thiazol-4-one is sourced from PubChem (CID 58048393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).