(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C14H21F3N2OS — CID 136595649

IUPAC(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1CC[C@H](C)C[C@@H]1/N=C1\NC(=O)[C@@](C)(CC(F)(F)F)S1
InChIInChI=1S/C14H21F3N2OS/c1-8-4-5-9(2)10(6-8)18-12-19-11(20)13(3,21-12)7-14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t8-,9?,10-,13+/m0/s1
InChIKeyGEJGQCYVYNXBTG-ILGIZZGZSA-N
MW322.40 g/mol
LogP3.74
Rot. Bonds2

About (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 136595649) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID136595649
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCC1CC[C@H](C)C[C@@H]1/N=C1\NC(=O)[C@@](C)(CC(F)(F)F)S1
InChIInChI=1S/C14H21F3N2OS/c1-8-4-5-9(2)10(6-8)18-12-19-11(20)13(3,21-12)7-14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t8-,9?,10-,13+/m0/s1
InChIKeyGEJGQCYVYNXBTG-ILGIZZGZSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 136595649) is (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is CC1CC[C@H](C)C[C@@H]1/N=C1\NC(=O)[C@@](C)(CC(F)(F)F)S1.
What is the InChIKey of (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is GEJGQCYVYNXBTG-ILGIZZGZSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-8-4-5-9(2)10(6-8)18-12-19-11(20)13(3,21-12)7-14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t8-,9?,10-,13+/m0/s1.
What are the key properties of (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 322.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136595649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).