3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione

C6H9NO3S — CID 43509836

IUPAC3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCO
InChIInChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2
InChIKeyRLJOKRCTFNTXLK-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.06
Rot. Bonds3

About 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione

3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 43509836) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID43509836
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCO
InChIInChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2
InChIKeyRLJOKRCTFNTXLK-UHFFFAOYSA-N
XLogP0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione (CID 43509836) is 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RLJOKRCTFNTXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2.
What are the key properties of 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 175.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43509836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).