2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C19H24F3N3OS — CID 67351201

IUPAC2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3OS/c1-25-16(12-27-18(25)24-14-5-3-2-4-6-14)11-17(26)23-15-9-7-13(8-10-15)19(20,21)22/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,26)/b24-18-
InChIKeyJOVCAXGBBHCSAD-MOHJPFBDSA-N
MW399.48 g/mol
LogP4.77
Rot. Bonds4

About 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67351201) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID67351201
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3OS/c1-25-16(12-27-18(25)24-14-5-3-2-4-6-14)11-17(26)23-15-9-7-13(8-10-15)19(20,21)22/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,26)/b24-18-
InChIKeyJOVCAXGBBHCSAD-MOHJPFBDSA-N
XLogP4.77
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67349479
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 87366550
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazolidin-4-yl)acetamide
CID 87365465
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 67351201) is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JOVCAXGBBHCSAD-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c1-25-16(12-27-18(25)24-14-5-3-2-4-6-14)11-17(26)23-15-9-7-13(8-10-15)19(20,21)22/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,26)/b24-18-.
What are the key properties of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67351201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).