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

C24H33ClFN3OS — CID 67349095

IUPAC2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C24H32FN3OS.ClH/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);1H/b27-23-;
InChIKeyQITMGXZGTOWUSI-FRWNMSGJSA-N
MW466.07 g/mol
LogP5.73
Rot. Bonds6

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

2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride (PubChem CID 67349095) has the molecular formula C24H33ClFN3OS and a molecular weight of 466.07 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
PubChem CID67349095
Molecular FormulaC24H33ClFN3OS
Molecular Weight466.07 g/mol
Exact Mass465.20
IUPAC Name2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C24H32FN3OS.ClH/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);1H/b27-23-;
InChIKeyQITMGXZGTOWUSI-FRWNMSGJSA-N
XLogP5.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.07
LogP ≤ 55.73
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-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67349157
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67349158
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide;hydrochloride
CID 67348291
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-(4-ethylphenyl)acetamide;hydrochloride
CID 67349545
2-[2-(1-adamantylimino)-3-propan-2-yl-1,3-thiazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 67348653
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 67349215
2-[2-(1-adamantylimino)-3-propan-2-yl-1,3-thiazolidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 87365569
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 67350802
2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide
CID 67349153
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride (CID 67349095) is 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride is CCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.Cl.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The InChIKey is QITMGXZGTOWUSI-FRWNMSGJSA-N. The full InChI is InChI=1S/C24H32FN3OS.ClH/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);1H/b27-23-;.
What are the key properties of 2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride has a molecular weight of 466.07 g/mol, XLogP of 5.73, 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;hydrochloride is sourced from PubChem (CID 67349095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).