1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one

C18H16ClN5OS — CID 133454723

IUPAC1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
SMILESCN(c1nnc(-c2ccccn2)s1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H16ClN5OS/c1-23(18-22-21-16(26-18)13-7-4-5-10-20-13)15-9-11-24(17(15)25)14-8-3-2-6-12(14)19/h2-8,10,15H,9,11H2,1H3
InChIKeyYPJLKFNXWLAUCF-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one (PubChem CID 133454723) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
PubChem CID133454723
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC Name1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
SMILESCN(c1nnc(-c2ccccn2)s1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H16ClN5OS/c1-23(18-22-21-16(26-18)13-7-4-5-10-20-13)15-9-11-24(17(15)25)14-8-3-2-6-12(14)19/h2-8,10,15H,9,11H2,1H3
InChIKeyYPJLKFNXWLAUCF-UHFFFAOYSA-N
XLogP3.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 95620506
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524922
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one (CID 133454723) is 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one is CN(c1nnc(-c2ccccn2)s1)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one?
The InChIKey is YPJLKFNXWLAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c1-23(18-22-21-16(26-18)13-7-4-5-10-20-13)15-9-11-24(17(15)25)14-8-3-2-6-12(14)19/h2-8,10,15H,9,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one has a molecular weight of 385.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133454723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).