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

C8H12N4OS — CID 91643484

IUPAC1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-9-8(14-11-5)10-6-3-4-12(2)7(6)13/h6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyWDPSBCMWGLACEO-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.49
Rot. Bonds2

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

1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 91643484) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID91643484
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-9-8(14-11-5)10-6-3-4-12(2)7(6)13/h6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyWDPSBCMWGLACEO-UHFFFAOYSA-N
XLogP0.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 91643484) is 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is Cc1nsc(NC2CCN(C)C2=O)n1.
What is the InChIKey of 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is WDPSBCMWGLACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-9-8(14-11-5)10-6-3-4-12(2)7(6)13/h6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 91643484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).