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

C17H22N4O3S — CID 133428745

IUPAC1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
SMILESCCc1nsc(N(C)C2CCN(c3cc(OC)cc(OC)c3)C2=O)n1
InChIInChI=1S/C17H22N4O3S/c1-5-15-18-17(25-19-15)20(2)14-6-7-21(16(14)22)11-8-12(23-3)10-13(9-11)24-4/h8-10,14H,5-7H2,1-4H3
InChIKeyQYDLJZCJTWDYMD-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.36
Rot. Bonds6

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

1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one (PubChem CID 133428745) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
PubChem CID133428745
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
SMILESCCc1nsc(N(C)C2CCN(c3cc(OC)cc(OC)c3)C2=O)n1
InChIInChI=1S/C17H22N4O3S/c1-5-15-18-17(25-19-15)20(2)14-6-7-21(16(14)22)11-8-12(23-3)10-13(9-11)24-4/h8-10,14H,5-7H2,1-4H3
InChIKeyQYDLJZCJTWDYMD-UHFFFAOYSA-N
XLogP2.36
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one (CID 133428745) is 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one is CCc1nsc(N(C)C2CCN(c3cc(OC)cc(OC)c3)C2=O)n1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one?
The InChIKey is QYDLJZCJTWDYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-5-15-18-17(25-19-15)20(2)14-6-7-21(16(14)22)11-8-12(23-3)10-13(9-11)24-4/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one?
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one has a molecular weight of 362.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 133428745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).