N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride

C20H30ClN3OS — CID 67346290

IUPACN-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C20H29N3OS.ClH/c1-4-22-19(14-25-20(22)21-17-8-6-5-7-9-17)23(16(3)24)18-12-10-15(2)11-13-18;/h10-13,17,19H,4-9,14H2,1-3H3;1H/b21-20-;
InChIKeyMFVYIVBLGSBJSO-CFRCJOIHSA-N
MW396.00 g/mol
LogP4.85
Rot. Bonds4

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

N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 67346290) has the molecular formula C20H30ClN3OS and a molecular weight of 396.00 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID67346290
Molecular FormulaC20H30ClN3OS
Molecular Weight396.00 g/mol
Exact Mass395.18
IUPAC NameN-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C20H29N3OS.ClH/c1-4-22-19(14-25-20(22)21-17-8-6-5-7-9-17)23(16(3)24)18-12-10-15(2)11-13-18;/h10-13,17,19H,4-9,14H2,1-3H3;1H/b21-20-;
InChIKeyMFVYIVBLGSBJSO-CFRCJOIHSA-N
XLogP4.85
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.00
LogP ≤ 54.85
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-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (CID 67346290) is N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is CCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1ccc(C)cc1.Cl.
What is the InChIKey of N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is MFVYIVBLGSBJSO-CFRCJOIHSA-N. The full InChI is InChI=1S/C20H29N3OS.ClH/c1-4-22-19(14-25-20(22)21-17-8-6-5-7-9-17)23(16(3)24)18-12-10-15(2)11-13-18;/h10-13,17,19H,4-9,14H2,1-3H3;1H/b21-20-;.
What are the key properties of N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 396.00 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67346290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).