2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride

C26H34ClN3O2S — CID 67351067

IUPAC2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C26H33N3O2S.ClH/c1-2-17-29-22(19-32-26(29)28-20-9-5-3-6-10-20)18-25(30)27-21-13-15-24(16-14-21)31-23-11-7-4-8-12-23;/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17-19H2,1H3,(H,27,30);1H/b28-26-;
InChIKeyFLGANCKYQDCFFN-QVLVYXDLSA-N
MW488.10 g/mol
LogP6.75
Rot. Bonds8

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

2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride (PubChem CID 67351067) has the molecular formula C26H34ClN3O2S and a molecular weight of 488.10 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
PubChem CID67351067
Molecular FormulaC26H34ClN3O2S
Molecular Weight488.10 g/mol
Exact Mass487.21
IUPAC Name2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C26H33N3O2S.ClH/c1-2-17-29-22(19-32-26(29)28-20-9-5-3-6-10-20)18-25(30)27-21-13-15-24(16-14-21)31-23-11-7-4-8-12-23;/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17-19H2,1H3,(H,27,30);1H/b28-26-;
InChIKeyFLGANCKYQDCFFN-QVLVYXDLSA-N
XLogP6.75
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.10
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 140532175
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-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 67349215
N-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67350050
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride (CID 67351067) is 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride is CCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The InChIKey is FLGANCKYQDCFFN-QVLVYXDLSA-N. The full InChI is InChI=1S/C26H33N3O2S.ClH/c1-2-17-29-22(19-32-26(29)28-20-9-5-3-6-10-20)18-25(30)27-21-13-15-24(16-14-21)31-23-11-7-4-8-12-23;/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17-19H2,1H3,(H,27,30);1H/b28-26-;.
What are the key properties of 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride?
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride has a molecular weight of 488.10 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67351067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).