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

C11H18N4OS — CID 80609094

IUPAC4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESCCNc1nnc(CN2CC(CC)CC2=O)s1
InChIInChI=1S/C11H18N4OS/c1-3-8-5-10(16)15(6-8)7-9-13-14-11(17-9)12-4-2/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyKXLYHRUKIYCRBC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.73
Rot. Bonds5

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

4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 80609094) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
PubChem CID80609094
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESCCNc1nnc(CN2CC(CC)CC2=O)s1
InChIInChI=1S/C11H18N4OS/c1-3-8-5-10(16)15(6-8)7-9-13-14-11(17-9)12-4-2/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyKXLYHRUKIYCRBC-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one (CID 80609094) is 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one is CCNc1nnc(CN2CC(CC)CC2=O)s1.
What is the InChIKey of 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is KXLYHRUKIYCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-8-5-10(16)15(6-8)7-9-13-14-11(17-9)12-4-2/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one?
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 254.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80609094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).