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

C12H17F3N2OS — CID 135989712

IUPAC2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)F)S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C12H17F3N2OS/c1-11(7-12(13,14)15)9(18)17-10(19-11)16-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyFWRJTNMWZBRLMG-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.25
Rot. Bonds2

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

2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 135989712) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID135989712
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)F)S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C12H17F3N2OS/c1-11(7-12(13,14)15)9(18)17-10(19-11)16-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyFWRJTNMWZBRLMG-UHFFFAOYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.25
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-(Cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783319
2-(Cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783321
2-[Cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
CID 67093349
(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
2-Cycloheptylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989251
(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989254

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 135989712) is 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is CC1(CC(F)(F)F)S/C(=N/C2CCCCC2)NC1=O.
What is the InChIKey of 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is FWRJTNMWZBRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-11(7-12(13,14)15)9(18)17-10(19-11)16-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 294.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).