2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C24H24F3N3O3S — CID 135537445

IUPAC2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O3S/c25-24(26,27)33-19-12-10-17(11-13-19)28-21(31)14-20-22(32)30-23(34-20)29-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-13,15,20H,1-5,14H2,(H,28,31)(H,29,30,32)
InChIKeyPNPNALAFJBTBHH-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.88
Rot. Bonds6

About 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 135537445) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID135537445
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Name2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O3S/c25-24(26,27)33-19-12-10-17(11-13-19)28-21(31)14-20-22(32)30-23(34-20)29-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-13,15,20H,1-5,14H2,(H,28,31)(H,29,30,32)
InChIKeyPNPNALAFJBTBHH-UHFFFAOYSA-N
XLogP5.88
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 135537445) is 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CC1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PNPNALAFJBTBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c25-24(26,27)33-19-12-10-17(11-13-19)28-21(31)14-20-22(32)30-23(34-20)29-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-13,15,20H,1-5,14H2,(H,28,31)(H,29,30,32).
What are the key properties of 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 491.54 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 135537445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).