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

C16H21N3O2S — CID 135691792

IUPAC2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1
InChIInChI=1S/C16H21N3O2S/c1-3-4-9-17-16-19-15(21)13(22-16)10-14(20)18-12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m1/s1
InChIKeyLJLSXSZWAQCEOF-CYBMUJFWSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds6

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

2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 135691792) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID135691792
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1
InChIInChI=1S/C16H21N3O2S/c1-3-4-9-17-16-19-15(21)13(22-16)10-14(20)18-12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m1/s1
InChIKeyLJLSXSZWAQCEOF-CYBMUJFWSA-N
XLogP2.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786
N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
2-[(5R)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135927418
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
N-(4-bromophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135689420
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
N-(4-bromophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691443
4-[[(5R)-5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135759847
2-[(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500775

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 135691792) is 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1.
What is the InChIKey of 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is LJLSXSZWAQCEOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-4-9-17-16-19-15(21)13(22-16)10-14(20)18-12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,17,19,21)/t13-/m1/s1.
What are the key properties of 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135691792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).