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

C15H19NO4S — CID 42744512

IUPACpropyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSCN1C(=O)COc1ccccc1
InChIInChI=1S/C15H19NO4S/c1-2-8-19-15(18)13-10-21-11-16(13)14(17)9-20-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyCWDQIGUUPKAWOW-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.92
Rot. Bonds6

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

propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42744512) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42744512
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namepropyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSCN1C(=O)COc1ccccc1
InChIInChI=1S/C15H19NO4S/c1-2-8-19-15(18)13-10-21-11-16(13)14(17)9-20-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyCWDQIGUUPKAWOW-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
butyl 3-(2-phenylsulfanylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42744501
(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143315
(4R)-3-[2-(4-nitrophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144709
ethyl (3R)-4-[2-(4-pyridin-2-yloxyphenoxy)acetyl]thiomorpholine-3-carboxylate
CID 39997382
2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
CID 95981556
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
3-phenylpropyl 3-(cyclohexylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 154759691
2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255611
3-[2-(4-ethoxyphenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359228
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate (CID 42744512) is propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSCN1C(=O)COc1ccccc1.
What is the InChIKey of propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is CWDQIGUUPKAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-8-19-15(18)13-10-21-11-16(13)14(17)9-20-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate?
propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42744512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).