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

C19H28ClN3OS — CID 67348536

IUPACN-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)C1CS/C(=N\C2CCCCC2)N1C.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-14-9-11-17(12-10-14)22(15(2)23)18-13-24-19(21(18)3)20-16-7-5-4-6-8-16;/h9-12,16,18H,4-8,13H2,1-3H3;1H/b20-19-;
InChIKeyDFWZGZPLBJJBHI-BLTQDSCZSA-N
MW381.97 g/mol
LogP4.46
Rot. Bonds3

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

N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 67348536) has the molecular formula C19H28ClN3OS and a molecular weight of 381.97 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID67348536
Molecular FormulaC19H28ClN3OS
Molecular Weight381.97 g/mol
Exact Mass381.16
IUPAC NameN-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)C1CS/C(=N\C2CCCCC2)N1C.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-14-9-11-17(12-10-14)22(15(2)23)18-13-24-19(21(18)3)20-16-7-5-4-6-8-16;/h9-12,16,18H,4-8,13H2,1-3H3;1H/b20-19-;
InChIKeyDFWZGZPLBJJBHI-BLTQDSCZSA-N
XLogP4.46
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348470
N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350350
N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67346290
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67349516
N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348328
N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide;hydrochloride
CID 67350948
N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 67348450
N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67348356
N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67348276
N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 67351312
N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 67346525

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride (CID 67348536) is N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C)cc1)C1CS/C(=N\C2CCCCC2)N1C.Cl.
What is the InChIKey of N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is DFWZGZPLBJJBHI-BLTQDSCZSA-N. The full InChI is InChI=1S/C19H27N3OS.ClH/c1-14-9-11-17(12-10-14)22(15(2)23)18-13-24-19(21(18)3)20-16-7-5-4-6-8-16;/h9-12,16,18H,4-8,13H2,1-3H3;1H/b20-19-;.
What are the key properties of N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67348536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).