N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

C22H34ClN3OS — CID 67351312

IUPACN-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C(C)C)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl
InChIInChI=1S/C22H33N3OS.ClH/c1-16(2)19-10-12-20(13-11-19)25(17(3)26)21-15-27-22(24(21)4)23-14-18-8-6-5-7-9-18;/h10-13,16,18,21H,5-9,14-15H2,1-4H3;1H/b23-22-;
InChIKeyCYGUHOQOVKUJKV-YJACDMIVSA-N
MW424.05 g/mol
LogP5.53
Rot. Bonds5

About N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 67351312) has the molecular formula C22H34ClN3OS and a molecular weight of 424.05 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID67351312
Molecular FormulaC22H34ClN3OS
Molecular Weight424.05 g/mol
Exact Mass423.21
IUPAC NameN-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C(C)C)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl
InChIInChI=1S/C22H33N3OS.ClH/c1-16(2)19-10-12-20(13-11-19)25(17(3)26)21-15-27-22(24(21)4)23-14-18-8-6-5-7-9-18;/h10-13,16,18,21H,5-9,14-15H2,1-4H3;1H/b23-22-;
InChIKeyCYGUHOQOVKUJKV-YJACDMIVSA-N
XLogP5.53
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.05
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (CID 67351312) is N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C(C)C)cc1)C1CS/C(=N\CC2CCCCC2)N1C.Cl.
What is the InChIKey of N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is CYGUHOQOVKUJKV-YJACDMIVSA-N. The full InChI is InChI=1S/C22H33N3OS.ClH/c1-16(2)19-10-12-20(13-11-19)25(17(3)26)21-15-27-22(24(21)4)23-14-18-8-6-5-7-9-18;/h10-13,16,18,21H,5-9,14-15H2,1-4H3;1H/b23-22-;.
What are the key properties of N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 424.05 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67351312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).