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

C9H11F3N4OS — CID 133322183

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C9H11F3N4OS/c1-5-13-8(18-15-5)14-6-2-3-16(7(6)17)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,14,15)
InChIKeyINNMNRXALCYOJP-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.42
Rot. Bonds3

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

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 133322183) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID133322183
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C9H11F3N4OS/c1-5-13-8(18-15-5)14-6-2-3-16(7(6)17)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,14,15)
InChIKeyINNMNRXALCYOJP-UHFFFAOYSA-N
XLogP1.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 133322183) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1nsc(NC2CCN(CC(F)(F)F)C2=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is INNMNRXALCYOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-5-13-8(18-15-5)14-6-2-3-16(7(6)17)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 133322183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).