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

C9H16N2O3S — CID 43165948

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)NCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H16N2O3S/c1-6(2)10-3-7(12)4-11-8(13)5-15-9(11)14/h6-7,10,12H,3-5H2,1-2H3
InChIKeyPLLRYLOMXJFKAG-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds5

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

3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione (PubChem CID 43165948) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione
PubChem CID43165948
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)NCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H16N2O3S/c1-6(2)10-3-7(12)4-11-8(13)5-15-9(11)14/h6-7,10,12H,3-5H2,1-2H3
InChIKeyPLLRYLOMXJFKAG-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione (CID 43165948) is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione is CC(C)NCC(O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PLLRYLOMXJFKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6(2)10-3-7(12)4-11-8(13)5-15-9(11)14/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione?
3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 232.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43165948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).