2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride

C19H28ClN3OS — CID 6602941

IUPAC2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-14-8-10-17(11-9-14)20-18(23)13-22-12-15(2)24-19(22)21-16-6-4-3-5-7-16;/h8-11,15-16H,3-7,12-13H2,1-2H3,(H,20,23);1H/b21-19-;
InChIKeyYPKGXLSEQBXVIP-WQGAEACMSA-N
MW381.97 g/mol
LogP4.48
Rot. Bonds4

About 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride

2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 6602941) has the molecular formula C19H28ClN3OS and a molecular weight of 381.97 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID6602941
Molecular FormulaC19H28ClN3OS
Molecular Weight381.97 g/mol
Exact Mass381.16
IUPAC Name2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-14-8-10-17(11-9-14)20-18(23)13-22-12-15(2)24-19(22)21-16-6-4-3-5-7-16;/h8-11,15-16H,3-7,12-13H2,1-2H3,(H,20,23);1H/b21-19-;
InChIKeyYPKGXLSEQBXVIP-WQGAEACMSA-N
XLogP4.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
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 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride (CID 6602941) is 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1.Cl.
What is the InChIKey of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is YPKGXLSEQBXVIP-WQGAEACMSA-N. The full InChI is InChI=1S/C19H27N3OS.ClH/c1-14-8-10-17(11-9-14)20-18(23)13-22-12-15(2)24-19(22)21-16-6-4-3-5-7-16;/h8-11,15-16H,3-7,12-13H2,1-2H3,(H,20,23);1H/b21-19-;.
What are the key properties of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride?
2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6602941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).