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

C18H23N3O2S — CID 135401378

IUPAC2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/C3CCCCC3)NC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-7-9-14(10-8-12)19-16(22)11-15-17(23)21-18(24-15)20-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyBMTBUMMUAYIOAU-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.24
Rot. Bonds4

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

2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 135401378) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID135401378
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/C3CCCCC3)NC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-7-9-14(10-8-12)19-16(22)11-15-17(23)21-18(24-15)20-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyBMTBUMMUAYIOAU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (CID 135401378) is 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N/C3CCCCC3)NC2=O)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is BMTBUMMUAYIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-7-9-14(10-8-12)19-16(22)11-15-17(23)21-18(24-15)20-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-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-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).