3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione

C17H17F3N2OS2 — CID 135398842

IUPAC3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2cccc(C(F)(F)F)c2)sc(=S)n1C1CCCCC1
InChIInChI=1S/C17H17F3N2OS2/c18-17(19,20)11-5-4-6-12(9-11)21-10-14-15(23)22(16(24)25-14)13-7-2-1-3-8-13/h4-6,9-10,13,23H,1-3,7-8H2/b21-10+
InChIKeyUUCYBZAYHWUHPY-UFFVCSGVSA-N
MW386.46 g/mol
LogP6.26
Rot. Bonds3

About 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione

3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione (PubChem CID 135398842) has the molecular formula C17H17F3N2OS2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
PubChem CID135398842
Molecular FormulaC17H17F3N2OS2
Molecular Weight386.46 g/mol
Exact Mass386.07
IUPAC Name3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2cccc(C(F)(F)F)c2)sc(=S)n1C1CCCCC1
InChIInChI=1S/C17H17F3N2OS2/c18-17(19,20)11-5-4-6-12(9-11)21-10-14-15(23)22(16(24)25-14)13-7-2-1-3-8-13/h4-6,9-10,13,23H,1-3,7-8H2/b21-10+
InChIKeyUUCYBZAYHWUHPY-UFFVCSGVSA-N
XLogP6.26
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione 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 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione (CID 135398842) is 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione is Oc1c(/C=N/c2cccc(C(F)(F)F)c2)sc(=S)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is UUCYBZAYHWUHPY-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H17F3N2OS2/c18-17(19,20)11-5-4-6-12(9-11)21-10-14-15(23)22(16(24)25-14)13-7-2-1-3-8-13/h4-6,9-10,13,23H,1-3,7-8H2/b21-10+.
What are the key properties of 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione?
3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 386.46 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135398842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).