N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide

C15H18N2O2S2 — CID 9411691

IUPACN-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCc1ccc(NC(=O)CCCCN2C(=O)CSC2=S)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-5-7-12(8-6-11)16-13(18)4-2-3-9-17-14(19)10-21-15(17)20/h5-8H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyHCSAOXRRPPXIHA-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.96
Rot. Bonds6

About N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide

N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (PubChem CID 9411691) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
PubChem CID9411691
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCc1ccc(NC(=O)CCCCN2C(=O)CSC2=S)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-5-7-12(8-6-11)16-13(18)4-2-3-9-17-14(19)10-21-15(17)20/h5-8H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyHCSAOXRRPPXIHA-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide 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

methyl 4-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate
CID 9413559
N-(1,3-benzodioxol-5-yl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9313892
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
6-[(5E)-5-[3-[6-(4-methylanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)hexanamide
CID 6387740
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9145214
N-(3-nitrophenyl)-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 9410980
N-(4-methylphenyl)-6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6203334
2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
CID 9220858
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9479725
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
N-(4-fluorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110858692
N-[4-(2-formylhydrazinyl)phenyl]-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 14344654

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The IUPAC name of N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (CID 9411691) is N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The canonical SMILES for N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is Cc1ccc(NC(=O)CCCCN2C(=O)CSC2=S)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The InChIKey is HCSAOXRRPPXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-5-7-12(8-6-11)16-13(18)4-2-3-9-17-14(19)10-21-15(17)20/h5-8H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide has a molecular weight of 322.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is sourced from PubChem (CID 9411691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).