4-(1,3-thiazolidin-3-yl)benzoate

C10H10NO2S- — CID 140714322

IUPAC4-(1,3-thiazolidin-3-yl)benzoate
SMILESO=C([O-])c1ccc(N2CCSC2)cc1
InChIInChI=1S/C10H11NO2S/c12-10(13)8-1-3-9(4-2-8)11-5-6-14-7-11/h1-4H,5-7H2,(H,12,13)/p-1
InChIKeyFZEHGDHVYUZYSK-UHFFFAOYSA-M
MW208.26 g/mol
LogP0.56
Rot. Bonds2

About 4-(1,3-thiazolidin-3-yl)benzoate

4-(1,3-thiazolidin-3-yl)benzoate (PubChem CID 140714322) has the molecular formula C10H10NO2S- and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(1,3-thiazolidin-3-yl)benzoate.

Molecular Properties

Compound Name4-(1,3-thiazolidin-3-yl)benzoate
PubChem CID140714322
Molecular FormulaC10H10NO2S-
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name4-(1,3-thiazolidin-3-yl)benzoate
SMILESO=C([O-])c1ccc(N2CCSC2)cc1
InChIInChI=1S/C10H11NO2S/c12-10(13)8-1-3-9(4-2-8)11-5-6-14-7-11/h1-4H,5-7H2,(H,12,13)/p-1
InChIKeyFZEHGDHVYUZYSK-UHFFFAOYSA-M
XLogP0.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazolidin-3-yl)benzoate?
The IUPAC name of 4-(1,3-thiazolidin-3-yl)benzoate (CID 140714322) is 4-(1,3-thiazolidin-3-yl)benzoate.
What is the SMILES notation for 4-(1,3-thiazolidin-3-yl)benzoate?
The canonical SMILES for 4-(1,3-thiazolidin-3-yl)benzoate is O=C([O-])c1ccc(N2CCSC2)cc1.
What is the InChIKey of 4-(1,3-thiazolidin-3-yl)benzoate?
The InChIKey is FZEHGDHVYUZYSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO2S/c12-10(13)8-1-3-9(4-2-8)11-5-6-14-7-11/h1-4H,5-7H2,(H,12,13)/p-1.
What are the key properties of 4-(1,3-thiazolidin-3-yl)benzoate?
4-(1,3-thiazolidin-3-yl)benzoate has a molecular weight of 208.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazolidin-3-yl)benzoate is sourced from PubChem (CID 140714322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).