2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C24H30F3N3OS — CID 67347200

IUPAC2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H30F3N3OS/c1-2-30-20(10-21(31)28-19-5-3-18(4-6-19)24(25,26)27)14-32-22(30)29-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20H,2,7-14H2,1H3,(H,28,31)/b29-22-
InChIKeyLQBDIEHXLZWKCB-IADYIPOJSA-N
MW465.59 g/mol
LogP5.80
Rot. Bonds5

About 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67347200) has the molecular formula C24H30F3N3OS and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID67347200
Molecular FormulaC24H30F3N3OS
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC Name2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H30F3N3OS/c1-2-30-20(10-21(31)28-19-5-3-18(4-6-19)24(25,26)27)14-32-22(30)29-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20H,2,7-14H2,1H3,(H,28,31)/b29-22-
InChIKeyLQBDIEHXLZWKCB-IADYIPOJSA-N
XLogP5.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.80
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-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3245042
2-[3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 44452847
N-p-tolyl(6-isopropyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 16868666
N-(3-fluoro-4-methylphenyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868724
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 59250516
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-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 67346522
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
N-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67347202
2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67347227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 67347200) is 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is CCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LQBDIEHXLZWKCB-IADYIPOJSA-N. The full InChI is InChI=1S/C24H30F3N3OS/c1-2-30-20(10-21(31)28-19-5-3-18(4-6-19)24(25,26)27)14-32-22(30)29-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20H,2,7-14H2,1H3,(H,28,31)/b29-22-.
What are the key properties of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.59 g/mol, XLogP of 5.80, 5 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-ethyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67347200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).