N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride

C23H33Cl2N3OS — CID 67347786

IUPACN-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3OS.ClH/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20;/h11-14,18,20-21H,1-10,15-16H2,(H,25,28);1H/b26-23-;
InChIKeyZOTABBUHMBXXDZ-NYIQPMNJSA-N
MW470.51 g/mol
LogP6.53
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride

N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride (PubChem CID 67347786) has the molecular formula C23H33Cl2N3OS and a molecular weight of 470.51 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride
PubChem CID67347786
Molecular FormulaC23H33Cl2N3OS
Molecular Weight470.51 g/mol
Exact Mass469.17
IUPAC NameN-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3OS.ClH/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20;/h11-14,18,20-21H,1-10,15-16H2,(H,25,28);1H/b26-23-;
InChIKeyZOTABBUHMBXXDZ-NYIQPMNJSA-N
XLogP6.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 56.53
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

N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazolidin-4-yl)acetamide
CID 87365465
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
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-(3,4-dichlorophenyl)acetamide
CID 67347825
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride (CID 67347786) is N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride is Cl.O=C(CC1CS/C(=N\C2CCCCC2)N1C1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
The InChIKey is ZOTABBUHMBXXDZ-NYIQPMNJSA-N. The full InChI is InChI=1S/C23H32ClN3OS.ClH/c24-17-11-13-19(14-12-17)25-22(28)15-21-16-29-23(26-18-7-3-1-4-8-18)27(21)20-9-5-2-6-10-20;/h11-14,18,20-21H,1-10,15-16H2,(H,25,28);1H/b26-23-;.
What are the key properties of N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride?
N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride has a molecular weight of 470.51 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 67347786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).