2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide

C18H23N3O2S — CID 135890287

IUPAC2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c1
InChIInChI=1S/C18H23N3O2S/c1-12-6-5-9-14(10-12)19-16(22)11-15-17(23)21-18(24-15)20-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1
InChIKeyNKGLBDMKNKWKRR-HNNXBMFYSA-N
MW345.47 g/mol
LogP3.24
Rot. Bonds4

About 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide

2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 135890287) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID135890287
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c1
InChIInChI=1S/C18H23N3O2S/c1-12-6-5-9-14(10-12)19-16(22)11-15-17(23)21-18(24-15)20-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1
InChIKeyNKGLBDMKNKWKRR-HNNXBMFYSA-N
XLogP3.24
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363
N-(3-methylphenyl)-2-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135495346
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673147
2-[(5R)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673146
N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674371
2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 135519511
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136886862
N-(3-acetylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725340
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135640980

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (CID 135890287) is 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c1.
What is the InChIKey of 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NKGLBDMKNKWKRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-6-5-9-14(10-12)19-16(22)11-15-17(23)21-18(24-15)20-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,19,22)(H,20,21,23)/t15-/m0/s1.
What are the key properties of 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 135890287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).