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

C25H34FN3OS — CID 67348039

IUPAC2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H34FN3OS/c1-2-3-8-29-22(12-23(30)27-21-6-4-20(26)5-7-21)16-31-24(29)28-25-13-17-9-18(14-25)11-19(10-17)15-25/h4-7,17-19,22H,2-3,8-16H2,1H3,(H,27,30)/b28-24-
InChIKeyXNZPBXUGKBKTGX-COOPMVRXSA-N
MW443.63 g/mol
LogP5.70
Rot. Bonds7

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

2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 67348039) has the molecular formula C25H34FN3OS and a molecular weight of 443.63 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID67348039
Molecular FormulaC25H34FN3OS
Molecular Weight443.63 g/mol
Exact Mass443.24
IUPAC Name2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H34FN3OS/c1-2-3-8-29-22(12-23(30)27-21-6-4-20(26)5-7-21)16-31-24(29)28-25-13-17-9-18(14-25)11-19(10-17)15-25/h4-7,17-19,22H,2-3,8-16H2,1H3,(H,27,30)/b28-24-
InChIKeyXNZPBXUGKBKTGX-COOPMVRXSA-N
XLogP5.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 55.70
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-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 67348039) is 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is CCCCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is XNZPBXUGKBKTGX-COOPMVRXSA-N. The full InChI is InChI=1S/C25H34FN3OS/c1-2-3-8-29-22(12-23(30)27-21-6-4-20(26)5-7-21)16-31-24(29)28-25-13-17-9-18(14-25)11-19(10-17)15-25/h4-7,17-19,22H,2-3,8-16H2,1H3,(H,27,30)/b28-24-.
What are the key properties of 2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 443.63 g/mol, XLogP of 5.70, 7 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-butyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67348039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).