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

C19H27N3OS — CID 2998159

IUPAC2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C19H27N3OS/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)/b21-19-
InChIKeyKLTCGYLHXHCJLK-VZCXRCSSSA-N
MW345.51 g/mol
LogP4.06
Rot. Bonds4

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

2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 2998159) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID2998159
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C19H27N3OS/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)/b21-19-
InChIKeyKLTCGYLHXHCJLK-VZCXRCSSSA-N
XLogP4.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide
CID 2095668
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide
CID 46861986
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67348430
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230640

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide (CID 2998159) is 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CC(C)S/C2=N\C2CCCCC2)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is KLTCGYLHXHCJLK-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H27N3OS/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)/b21-19-.
What are the key properties of 2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide?
2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 4.06, 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 is sourced from PubChem (CID 2998159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).