1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

C9H11N3O2S3 — CID 7898063

IUPAC1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESCSc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C9H11N3O2S3/c1-15-8-10-11-9(17-8)16-5-7(14)12-4-2-3-6(12)13/h2-5H2,1H3
InChIKeyDMYUZGOFQPSBQZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 7898063) has the molecular formula C9H11N3O2S3 and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID7898063
Molecular FormulaC9H11N3O2S3
Molecular Weight289.41 g/mol
Exact Mass289.00
IUPAC Name1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESCSc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C9H11N3O2S3/c1-15-8-10-11-9(17-8)16-5-7(14)12-4-2-3-6(12)13/h2-5H2,1H3
InChIKeyDMYUZGOFQPSBQZ-UHFFFAOYSA-N
XLogP1.50
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (CID 7898063) is 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is CSc1nnc(SCC(=O)N2CCCC2=O)s1.
What is the InChIKey of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is DMYUZGOFQPSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S3/c1-15-8-10-11-9(17-8)16-5-7(14)12-4-2-3-6(12)13/h2-5H2,1H3.
What are the key properties of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 289.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 7898063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).