3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide

C19H20N2O2S2 — CID 51331976

IUPAC3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2S2/c22-18(20-11-12-25-16-9-5-2-6-10-16)17-13-24-14-21(17)19(23)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,22)
InChIKeyGLIZNOOFQKRNGX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.11
Rot. Bonds6

About 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 51331976) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID51331976
Molecular FormulaC19H20N2O2S2
Molecular Weight372.51 g/mol
Exact Mass372.10
IUPAC Name3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2S2/c22-18(20-11-12-25-16-9-5-2-6-10-16)17-13-24-14-21(17)19(23)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,22)
InChIKeyGLIZNOOFQKRNGX-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide 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

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
CID 94834398
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide (CID 51331976) is 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCSc1ccccc1)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GLIZNOOFQKRNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-18(20-11-12-25-16-9-5-2-6-10-16)17-13-24-14-21(17)19(23)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,22).
What are the key properties of 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51331976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).