2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C13H19F3N2OS — CID 135989715

IUPAC2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)F)S/C(=N/CC2CCCCC2)NC1=O
InChIInChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)18-11(20-12)17-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyOAJXUCFTNFBZFV-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.50
Rot. Bonds3

About 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 135989715) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID135989715
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)F)S/C(=N/CC2CCCCC2)NC1=O
InChIInChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)18-11(20-12)17-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyOAJXUCFTNFBZFV-UHFFFAOYSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.50
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

2-(Cyclohexylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783315
2-(Cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783316
2-[(Cyclohexylmethyl)amino]-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783317
2-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135989295
5-Methyl-2-(1-methylcyclohexyl)imino-5-propyl-1,3-thiazolidin-4-one
CID 135989195
(5S)-2-(2-cyclohexylethylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136368231
2-[(2,2-Difluorocyclohexyl)methylimino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135989040
(5R)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989101
(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989108
(5S)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989197
2-(5,5-Difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 135989715) is 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is CC1(CC(F)(F)F)S/C(=N/CC2CCCCC2)NC1=O.
What is the InChIKey of 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is OAJXUCFTNFBZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)18-11(20-12)17-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 308.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).