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

C22H28FN3OS — CID 67350834

IUPAC2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H28FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,14-16,19H,6-13H2,1H3,(H,24,27)/b25-21-
InChIKeyHYEKXSOZYXZYJP-DAFNUICNSA-N
MW401.55 g/mol
LogP4.53
Rot. Bonds4

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

2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 67350834) has the molecular formula C22H28FN3OS and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID67350834
Molecular FormulaC22H28FN3OS
Molecular Weight401.55 g/mol
Exact Mass401.19
IUPAC Name2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H28FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,14-16,19H,6-13H2,1H3,(H,24,27)/b25-21-
InChIKeyHYEKXSOZYXZYJP-DAFNUICNSA-N
XLogP4.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.53
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-(cyclohexylmethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-methyl-N-phenylacetamide
CID 136431277
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-[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-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 67346824
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 67350834) is 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is CN1/C(=N/C23CC4CC(CC(C4)C2)C3)SCC1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is HYEKXSOZYXZYJP-DAFNUICNSA-N. The full InChI is InChI=1S/C22H28FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,14-16,19H,6-13H2,1H3,(H,24,27)/b25-21-.
What are the key properties of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 401.55 g/mol, XLogP of 4.53, 4 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-methyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67350834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).