2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C24H32FN3OS — CID 67349096

IUPAC2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3OS/c1-2-7-28-21(11-22(29)26-20-5-3-19(25)4-6-20)15-30-23(28)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21H,2,7-15H2,1H3,(H,26,29)/b27-23-
InChIKeyFOONWZFJOLRZJJ-VYIQYICTSA-N
MW429.61 g/mol
LogP5.31
Rot. Bonds6

About 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide

2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 67349096) has the molecular formula C24H32FN3OS and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID67349096
Molecular FormulaC24H32FN3OS
Molecular Weight429.61 g/mol
Exact Mass429.23
IUPAC Name2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3OS/c1-2-7-28-21(11-22(29)26-20-5-3-19(25)4-6-20)15-30-23(28)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21H,2,7-15H2,1H3,(H,26,29)/b27-23-
InChIKeyFOONWZFJOLRZJJ-VYIQYICTSA-N
XLogP5.31
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.31
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

N-[2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]ethyl]-4-fluoroaniline
CID 46862525
N-[2-[2-(1-adamantylimino)-3-propyl-1,3-thiazol-4-yl]ethyl]-4-fluoroaniline
CID 46862625
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 67346168
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 67346260
2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide
CID 67346323
2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 67346408
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 67346522
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 67346941
2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 67347181
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67347199
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67347200
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 67347209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 67349096) is 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is CCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FOONWZFJOLRZJJ-VYIQYICTSA-N. The full InChI is InChI=1S/C24H32FN3OS/c1-2-7-28-21(11-22(29)26-20-5-3-19(25)4-6-20)15-30-23(28)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21H,2,7-15H2,1H3,(H,26,29)/b27-23-.
What are the key properties of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 429.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67349096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).