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

C11H16N4O2S2 — CID 9378708

IUPAC1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
SMILESCCCNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-9(17)15-6-3-4-8(15)16/h2-7H2,1H3,(H,12,13)
InChIKeyZYUWQUAMSATHIZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.60
Rot. Bonds6

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

1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 9378708) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID9378708
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
SMILESCCCNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-9(17)15-6-3-4-8(15)16/h2-7H2,1H3,(H,12,13)
InChIKeyZYUWQUAMSATHIZ-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one (CID 9378708) is 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one is CCCNc1nnc(SCC(=O)N2CCCC2=O)s1.
What is the InChIKey of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is ZYUWQUAMSATHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-9(17)15-6-3-4-8(15)16/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 9378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).