2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide

C23H32FN3OS — CID 67346408

IUPAC2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H32FN3OS/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20/h11-14,18,20-21H,1-10,15-16H2,(H,25,28)/b26-23-
InChIKeyCOWPRHPOUFVYFE-RWEWTDSWSA-N
MW417.59 g/mol
LogP5.59
Rot. Bonds5

About 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide

2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 67346408) has the molecular formula C23H32FN3OS and a molecular weight of 417.59 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
PubChem CID67346408
Molecular FormulaC23H32FN3OS
Molecular Weight417.59 g/mol
Exact Mass417.23
IUPAC Name2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H32FN3OS/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20/h11-14,18,20-21H,1-10,15-16H2,(H,25,28)/b26-23-
InChIKeyCOWPRHPOUFVYFE-RWEWTDSWSA-N
XLogP5.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 55.59
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-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
N-cyclohexyl-2-[3-methyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 5181726
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 42739082
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 42739160
2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4556144
2,5-dioxo-1-phenylpyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 2833588
2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 3151584
2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135408317

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (CID 67346408) is 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is O=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is COWPRHPOUFVYFE-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H32FN3OS/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20/h11-14,18,20-21H,1-10,15-16H2,(H,25,28)/b26-23-.
What are the key properties of 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 417.59 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67346408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).