1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione

C9H10N2O2S — CID 63280483

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione
SMILESCc1ncsc1CN1CCC(=O)C1=O
InChIInChI=1S/C9H10N2O2S/c1-6-8(14-5-10-6)4-11-3-2-7(12)9(11)13/h5H,2-4H2,1H3
InChIKeyFSUQOZVYCUYXHP-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.75
Rot. Bonds2

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione

1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione (PubChem CID 63280483) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione
PubChem CID63280483
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione
SMILESCc1ncsc1CN1CCC(=O)C1=O
InChIInChI=1S/C9H10N2O2S/c1-6-8(14-5-10-6)4-11-3-2-7(12)9(11)13/h5H,2-4H2,1H3
InChIKeyFSUQOZVYCUYXHP-UHFFFAOYSA-N
XLogP0.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione (CID 63280483) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione is Cc1ncsc1CN1CCC(=O)C1=O.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione?
The InChIKey is FSUQOZVYCUYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6-8(14-5-10-6)4-11-3-2-7(12)9(11)13/h5H,2-4H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione has a molecular weight of 210.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 63280483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).