1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

C8H8ClN3O2S — CID 61238269

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C8H8ClN3O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3H2,1H3
InChIKeyNYYDDVRMQDDABN-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.09
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61238269) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61238269
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C8H8ClN3O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3H2,1H3
InChIKeyNYYDDVRMQDDABN-UHFFFAOYSA-N
XLogP1.09
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (CID 61238269) is 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is NYYDDVRMQDDABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 245.69 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).