4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one

C7H10N4OS — CID 130944205

IUPAC4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2ncns2)CN1
InChIInChI=1S/C7H10N4OS/c12-6-1-5(2-8-6)3-9-7-10-4-11-13-7/h4-5H,1-3H2,(H,8,12)(H,9,10,11)
InChIKeyAYFOKXCAEIBZIZ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.09
Rot. Bonds3

About 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one

4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one (PubChem CID 130944205) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one
PubChem CID130944205
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2ncns2)CN1
InChIInChI=1S/C7H10N4OS/c12-6-1-5(2-8-6)3-9-7-10-4-11-13-7/h4-5H,1-3H2,(H,8,12)(H,9,10,11)
InChIKeyAYFOKXCAEIBZIZ-UHFFFAOYSA-N
XLogP0.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one (CID 130944205) is 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one is O=C1CC(CNc2ncns2)CN1.
What is the InChIKey of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is AYFOKXCAEIBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c12-6-1-5(2-8-6)3-9-7-10-4-11-13-7/h4-5H,1-3H2,(H,8,12)(H,9,10,11).
What are the key properties of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one?
4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 198.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130944205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).