ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione

C8H15NO2S — CID 169243968

IUPACethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC.CC(C)C1SC(=O)NC1=O
InChIInChI=1S/C6H9NO2S.C2H6/c1-3(2)4-5(8)7-6(9)10-4;1-2/h3-4H,1-2H3,(H,7,8,9);1-2H3
InChIKeyMODKEYOMAAWFLE-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.02
Rot. Bonds1

About ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione

ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 169243968) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID169243968
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC.CC(C)C1SC(=O)NC1=O
InChIInChI=1S/C6H9NO2S.C2H6/c1-3(2)4-5(8)7-6(9)10-4;1-2/h3-4H,1-2H3,(H,7,8,9);1-2H3
InChIKeyMODKEYOMAAWFLE-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 169243968) is ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione is CC.CC(C)C1SC(=O)NC1=O.
What is the InChIKey of ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is MODKEYOMAAWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S.C2H6/c1-3(2)4-5(8)7-6(9)10-4;1-2/h3-4H,1-2H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione?
ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 189.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 169243968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).