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

C13H21N5OS — CID 154564572

IUPAC4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(N)s1
InChIInChI=1S/C13H21N5OS/c1-17(13-16-15-12(14)20-13)7-9-6-11(19)18(8-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyULBNOJCGWZGCCL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.35
Rot. Bonds4

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

4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 154564572) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID154564572
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(N)s1
InChIInChI=1S/C13H21N5OS/c1-17(13-16-15-12(14)20-13)7-9-6-11(19)18(8-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyULBNOJCGWZGCCL-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 154564572) is 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(N)s1.
What is the InChIKey of 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is ULBNOJCGWZGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-17(13-16-15-12(14)20-13)7-9-6-11(19)18(8-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H2,14,15).
What are the key properties of 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 295.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 154564572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).