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

C20H28FN3OS — CID 67346941

IUPAC2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H28FN3OS/c1-2-12-24-18(13-19(25)22-17-10-8-15(21)9-11-17)14-26-20(24)23-16-6-4-3-5-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,22,25)/b23-20-
InChIKeyCMNPYRRSPPPUKG-ATJXCDBQSA-N
MW377.53 g/mol
LogP4.67
Rot. Bonds6

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

2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 67346941) has the molecular formula C20H28FN3OS and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
PubChem CID67346941
Molecular FormulaC20H28FN3OS
Molecular Weight377.53 g/mol
Exact Mass377.19
IUPAC Name2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H28FN3OS/c1-2-12-24-18(13-19(25)22-17-10-8-15(21)9-11-17)14-26-20(24)23-16-6-4-3-5-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,22,25)/b23-20-
InChIKeyCMNPYRRSPPPUKG-ATJXCDBQSA-N
XLogP4.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.67
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-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039
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
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 3239552
N-(2,4-difluorophenyl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3242574

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (CID 67346941) is 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is CCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is CMNPYRRSPPPUKG-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H28FN3OS/c1-2-12-24-18(13-19(25)22-17-10-8-15(21)9-11-17)14-26-20(24)23-16-6-4-3-5-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,22,25)/b23-20-.
What are the key properties of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67346941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).