3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

C13H11N3O2S2 — CID 3125498

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1
InChIInChI=1S/C13H11N3O2S2/c1-8-14-15-13(19-8)20-10-7-11(17)16(12(10)18)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyIZIIQLZMOJRLLM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.27
Rot. Bonds3

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 3125498) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID3125498
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1
InChIInChI=1S/C13H11N3O2S2/c1-8-14-15-13(19-8)20-10-7-11(17)16(12(10)18)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyIZIIQLZMOJRLLM-UHFFFAOYSA-N
XLogP2.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione (CID 3125498) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione is Cc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is IZIIQLZMOJRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-8-14-15-13(19-8)20-10-7-11(17)16(12(10)18)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 305.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3125498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).