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

C10H14N4O2S2 — CID 9379551

IUPAC1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
SMILESCCNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C10H14N4O2S2/c1-2-11-9-12-13-10(18-9)17-6-8(16)14-5-3-4-7(14)15/h2-6H2,1H3,(H,11,12)
InChIKeyWMJFKNITFOSZMD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.21
Rot. Bonds5

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

1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 9379551) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID9379551
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
SMILESCCNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C10H14N4O2S2/c1-2-11-9-12-13-10(18-9)17-6-8(16)14-5-3-4-7(14)15/h2-6H2,1H3,(H,11,12)
InChIKeyWMJFKNITFOSZMD-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one (CID 9379551) is 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one is CCNc1nnc(SCC(=O)N2CCCC2=O)s1.
What is the InChIKey of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is WMJFKNITFOSZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-2-11-9-12-13-10(18-9)17-6-8(16)14-5-3-4-7(14)15/h2-6H2,1H3,(H,11,12).
What are the key properties of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 9379551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).