3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione

C9H16N2O3S — CID 43165949

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
SMILESCCCNCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H16N2O3S/c1-2-3-10-4-7(12)5-11-8(13)6-15-9(11)14/h7,10,12H,2-6H2,1H3
InChIKeyBHRKOPBKJHNFNK-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds6

About 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione

3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione (PubChem CID 43165949) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
PubChem CID43165949
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
SMILESCCCNCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H16N2O3S/c1-2-3-10-4-7(12)5-11-8(13)6-15-9(11)14/h7,10,12H,2-6H2,1H3
InChIKeyBHRKOPBKJHNFNK-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione (CID 43165949) is 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione is CCCNCC(O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BHRKOPBKJHNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-3-10-4-7(12)5-11-8(13)6-15-9(11)14/h7,10,12H,2-6H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione?
3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 232.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43165949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).