2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide

C22H33N3OS — CID 2095668

IUPAC2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C[C@H](C)S/C1=N\C1CCCCC1
InChIInChI=1S/C22H33N3OS/c1-4-17-10-9-11-18(5-2)21(17)24-20(26)15-25-14-16(3)27-22(25)23-19-12-7-6-8-13-19/h9-11,16,19H,4-8,12-15H2,1-3H3,(H,24,26)/b23-22-/t16-/m0/s1
InChIKeyDCFKXXAVYVHYGX-GBWQBGJGSA-N
MW387.59 g/mol
LogP4.88
Rot. Bonds6

About 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide

2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide (PubChem CID 2095668) has the molecular formula C22H33N3OS and a molecular weight of 387.59 g/mol. Its IUPAC name is 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide
PubChem CID2095668
Molecular FormulaC22H33N3OS
Molecular Weight387.59 g/mol
Exact Mass387.23
IUPAC Name2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C[C@H](C)S/C1=N\C1CCCCC1
InChIInChI=1S/C22H33N3OS/c1-4-17-10-9-11-18(5-2)21(17)24-20(26)15-25-14-16(3)27-22(25)23-19-12-7-6-8-13-19/h9-11,16,19H,4-8,12-15H2,1-3H3,(H,24,26)/b23-22-/t16-/m0/s1
InChIKeyDCFKXXAVYVHYGX-GBWQBGJGSA-N
XLogP4.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930429
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
CID 108951577
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(2,6-diethylphenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668563
N-(3-chlorophenyl)-2-cycloheptylimino-5-methyl-1,3-thiazolidine-3-carbothioamide
CID 12784215

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide (CID 2095668) is 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN1C[C@H](C)S/C1=N\C1CCCCC1.
What is the InChIKey of 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is DCFKXXAVYVHYGX-GBWQBGJGSA-N. The full InChI is InChI=1S/C22H33N3OS/c1-4-17-10-9-11-18(5-2)21(17)24-20(26)15-25-14-16(3)27-22(25)23-19-12-7-6-8-13-19/h9-11,16,19H,4-8,12-15H2,1-3H3,(H,24,26)/b23-22-/t16-/m0/s1.
What are the key properties of 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide?
2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 387.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 2095668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).