1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C18H22N6O4S — CID 20958087

IUPAC1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H22N6O4S/c1-21(17-19-20-18(29-17)24-6-2-5-14(24)25)12-15(26)22-7-9-23(10-8-22)16(27)13-4-3-11-28-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyGVZQEYYLXYGNLM-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.68
Rot. Bonds5

About 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 20958087) has the molecular formula C18H22N6O4S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID20958087
Molecular FormulaC18H22N6O4S
Molecular Weight418.48 g/mol
Exact Mass418.14
IUPAC Name1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H22N6O4S/c1-21(17-19-20-18(29-17)24-6-2-5-14(24)25)12-15(26)22-7-9-23(10-8-22)16(27)13-4-3-11-28-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyGVZQEYYLXYGNLM-UHFFFAOYSA-N
XLogP0.68
TPSA103.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
CID 46344990
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20958246
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
CID 110388603
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
CID 113166520

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 20958087) is 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is GVZQEYYLXYGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4S/c1-21(17-19-20-18(29-17)24-6-2-5-14(24)25)12-15(26)22-7-9-23(10-8-22)16(27)13-4-3-11-28-13/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 418.48 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 20958087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).