propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate

C19H26ClNO3S — CID 7439910

IUPACpropyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC(=O)N1[C@@H](C(=O)OCCC)CS[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H26ClNO3S/c1-3-5-6-11-17(22)21-16(19(23)24-12-4-2)13-25-18(21)14-9-7-8-10-15(14)20/h7-10,16,18H,3-6,11-13H2,1-2H3/t16-,18-/m1/s1
InChIKeyLGSBMIYLXRDSRU-SJLPKXTDSA-N
MW383.94 g/mol
LogP4.82
Rot. Bonds8

About propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate

propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate (PubChem CID 7439910) has the molecular formula C19H26ClNO3S and a molecular weight of 383.94 g/mol. Its IUPAC name is propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
PubChem CID7439910
Molecular FormulaC19H26ClNO3S
Molecular Weight383.94 g/mol
Exact Mass383.13
IUPAC Namepropyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC(=O)N1[C@@H](C(=O)OCCC)CS[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H26ClNO3S/c1-3-5-6-11-17(22)21-16(19(23)24-12-4-2)13-25-18(21)14-9-7-8-10-15(14)20/h7-10,16,18H,3-6,11-13H2,1-2H3/t16-,18-/m1/s1
InChIKeyLGSBMIYLXRDSRU-SJLPKXTDSA-N
XLogP4.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.94
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate 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

butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
propan-2-yl (2S,4R)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482437
propan-2-yl (2R,4S)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482440
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
butyl 2-(2-chlorophenyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42744574
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 4020625
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
butyl 2-(2-chlorophenyl)-3-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 4305902
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108

Frequently Asked Questions

What is the IUPAC name of propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate (CID 7439910) is propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate is CCCCCC(=O)N1[C@@H](C(=O)OCCC)CS[C@@H]1c1ccccc1Cl.
What is the InChIKey of propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is LGSBMIYLXRDSRU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26ClNO3S/c1-3-5-6-11-17(22)21-16(19(23)24-12-4-2)13-25-18(21)14-9-7-8-10-15(14)20/h7-10,16,18H,3-6,11-13H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate?
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 383.94 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).