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

C14H14Cl2N4OS — CID 133439003

IUPAC1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C14H14Cl2N4OS/c1-2-12-18-14(22-19-12)17-11-5-6-20(13(11)21)8-3-4-9(15)10(16)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyJYAARVUVIKOHTE-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.62
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 133439003) has the molecular formula C14H14Cl2N4OS and a molecular weight of 357.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID133439003
Molecular FormulaC14H14Cl2N4OS
Molecular Weight357.27 g/mol
Exact Mass356.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C14H14Cl2N4OS/c1-2-12-18-14(22-19-12)17-11-5-6-20(13(11)21)8-3-4-9(15)10(16)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyJYAARVUVIKOHTE-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

2-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133439043
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133439004
6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 133439006
1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
CID 133491045
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133338426
1-(3,4-dichlorophenyl)-3-(3-methylsulfonyl-4-nitroanilino)pyrrolidin-2-one
CID 133439012
1-(3,4-dichlorophenyl)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pyrrolidin-2-one
CID 75498795
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 133439003) is 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is CCc1nsc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is JYAARVUVIKOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4OS/c1-2-12-18-14(22-19-12)17-11-5-6-20(13(11)21)8-3-4-9(15)10(16)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 357.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133439003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).