5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione

C9H15NO2S — CID 11333138

IUPAC5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)CC(C)C1SC(=O)NC1=O
InChIInChI=1S/C9H15NO2S/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyRBZXHGYQRGNZJI-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.02
Rot. Bonds3

About 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione

5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 11333138) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione
PubChem CID11333138
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)CC(C)C1SC(=O)NC1=O
InChIInChI=1S/C9H15NO2S/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyRBZXHGYQRGNZJI-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
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 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione (CID 11333138) is 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione is CC(C)CC(C)C1SC(=O)NC1=O.
What is the InChIKey of 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RBZXHGYQRGNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione?
5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 201.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11333138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).