butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

C24H26ClNO3S — CID 4020625

IUPACbutyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C24H26ClNO3S/c1-2-3-13-29-24(28)21-15-30-23(17-11-7-8-12-20(17)25)26(21)22(27)19-14-18(19)16-9-5-4-6-10-16/h4-12,18-19,21,23H,2-3,13-15H2,1H3
InChIKeyFBKRMYGUWKMXBK-UHFFFAOYSA-N
MW444.00 g/mol
LogP5.43
Rot. Bonds7

About butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 4020625) has the molecular formula C24H26ClNO3S and a molecular weight of 444.00 g/mol. Its IUPAC name is butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID4020625
Molecular FormulaC24H26ClNO3S
Molecular Weight444.00 g/mol
Exact Mass443.13
IUPAC Namebutyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C24H26ClNO3S/c1-2-3-13-29-24(28)21-15-30-23(17-11-7-8-12-20(17)25)26(21)22(27)19-14-18(19)16-9-5-4-6-10-16/h4-12,18-19,21,23H,2-3,13-15H2,1H3
InChIKeyFBKRMYGUWKMXBK-UHFFFAOYSA-N
XLogP5.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.00
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-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
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
butyl 2-(2-chlorophenyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42744574
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
butyl 2-(2-chlorophenyl)-3-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 4305902
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
butyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415565
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826
propan-2-yl (2S,4R)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482437

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (CID 4020625) is butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is CCCCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)C1CC1c1ccccc1.
What is the InChIKey of butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is FBKRMYGUWKMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3S/c1-2-3-13-29-24(28)21-15-30-23(17-11-7-8-12-20(17)25)26(21)22(27)19-14-18(19)16-9-5-4-6-10-16/h4-12,18-19,21,23H,2-3,13-15H2,1H3.
What are the key properties of butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 444.00 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 4020625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).