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

C10H16N4OS — CID 65274456

IUPAC5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nsc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H16N4OS/c1-2-3-8-13-10(16-14-8)11-6-7-4-5-9(15)12-7/h7H,2-6H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyJSVWMIRDGKGUES-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.18
Rot. Bonds5

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

5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 65274456) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one
PubChem CID65274456
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nsc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H16N4OS/c1-2-3-8-13-10(16-14-8)11-6-7-4-5-9(15)12-7/h7H,2-6H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyJSVWMIRDGKGUES-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one (CID 65274456) is 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one is CCCc1nsc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is JSVWMIRDGKGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-3-8-13-10(16-14-8)11-6-7-4-5-9(15)12-7/h7H,2-6H2,1H3,(H,12,15)(H,11,13,14).
What are the key properties of 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one?
5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 65274456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).