2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate

C20H29NO4S — CID 42745547

IUPAC2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSC(CC(C)C)N1C(=O)COc1ccccc1
InChIInChI=1S/C20H29NO4S/c1-14(2)10-19-21(17(13-26-19)20(23)25-11-15(3)4)18(22)12-24-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3
InChIKeyJGFWYFSFNFGJDM-UHFFFAOYSA-N
MW379.52 g/mol
LogP3.58
Rot. Bonds8

About 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate

2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42745547) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42745547
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC Name2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSC(CC(C)C)N1C(=O)COc1ccccc1
InChIInChI=1S/C20H29NO4S/c1-14(2)10-19-21(17(13-26-19)20(23)25-11-15(3)4)18(22)12-24-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3
InChIKeyJGFWYFSFNFGJDM-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-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

2-methylpropyl 2-(2-methylpropyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4658197
2-methylpropyl 3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745545
2-methylpropyl 3-(3-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745552
2-methylpropyl (2S,4S)-3-(3-methylbutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809707
2-methylpropyl (2R,4R)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809693
2-methylpropyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809698
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 165476474
propyl 3-[(2-bromophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745590
(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 7438953
2-methylpropyl 3-(4-ethylbenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 3914027

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate (CID 42745547) is 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate is CC(C)COC(=O)C1CSC(CC(C)C)N1C(=O)COc1ccccc1.
What is the InChIKey of 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is JGFWYFSFNFGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-14(2)10-19-21(17(13-26-19)20(23)25-11-15(3)4)18(22)12-24-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 379.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylpropyl)-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42745547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).