1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one

C16H18F2N4OS — CID 133491045

IUPAC1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
SMILESCC(C)Cc1nsc(NC2CCN(c3c(F)cccc3F)C2=O)n1
InChIInChI=1S/C16H18F2N4OS/c1-9(2)8-13-20-16(24-21-13)19-12-6-7-22(15(12)23)14-10(17)4-3-5-11(14)18/h3-5,9,12H,6-8H2,1-2H3,(H,19,20,21)
InChIKeyJKVXUPNYLYXMJT-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.23
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one

1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one (PubChem CID 133491045) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
PubChem CID133491045
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC Name1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
SMILESCC(C)Cc1nsc(NC2CCN(c3c(F)cccc3F)C2=O)n1
InChIInChI=1S/C16H18F2N4OS/c1-9(2)8-13-20-16(24-21-13)19-12-6-7-22(15(12)23)14-10(17)4-3-5-11(14)18/h3-5,9,12H,6-8H2,1-2H3,(H,19,20,21)
InChIKeyJKVXUPNYLYXMJT-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 133439003
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119814077
1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 71921367
1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133350564
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
CID 119814099
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814096
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
4-chloro-2-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-carbonitrile
CID 100711420
(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 139013069
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
CID 124592979
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one (CID 133491045) is 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one is CC(C)Cc1nsc(NC2CCN(c3c(F)cccc3F)C2=O)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The InChIKey is JKVXUPNYLYXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c1-9(2)8-13-20-16(24-21-13)19-12-6-7-22(15(12)23)14-10(17)4-3-5-11(14)18/h3-5,9,12H,6-8H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133491045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).