2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide

C22H33N3OS — CID 67348562

IUPAC2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H33N3OS/c1-3-4-14-25-20(15-21(26)23-19-12-10-17(2)11-13-19)16-27-22(25)24-18-8-6-5-7-9-18/h10-13,18,20H,3-9,14-16H2,1-2H3,(H,23,26)/b24-22-
InChIKeyUUBWFHZFQIWVTI-GYHWCHFESA-N
MW387.59 g/mol
LogP5.23
Rot. Bonds7

About 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide

2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide (PubChem CID 67348562) has the molecular formula C22H33N3OS and a molecular weight of 387.59 g/mol. Its IUPAC name is 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
PubChem CID67348562
Molecular FormulaC22H33N3OS
Molecular Weight387.59 g/mol
Exact Mass387.23
IUPAC Name2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H33N3OS/c1-3-4-14-25-20(15-21(26)23-19-12-10-17(2)11-13-19)16-27-22(25)24-18-8-6-5-7-9-18/h10-13,18,20H,3-9,14-16H2,1-2H3,(H,23,26)/b24-22-
InChIKeyUUBWFHZFQIWVTI-GYHWCHFESA-N
XLogP5.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.23
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-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67347786
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide (CID 67348562) is 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide is CCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is UUBWFHZFQIWVTI-GYHWCHFESA-N. The full InChI is InChI=1S/C22H33N3OS/c1-3-4-14-25-20(15-21(26)23-19-12-10-17(2)11-13-19)16-27-22(25)24-18-8-6-5-7-9-18/h10-13,18,20H,3-9,14-16H2,1-2H3,(H,23,26)/b24-22-.
What are the key properties of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 387.59 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 67348562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).