1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one

C11H17N3OS — CID 62758526

IUPAC1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1cncs1
InChIInChI=1S/C11H17N3OS/c1-9(7-14-4-2-3-11(14)15)13-6-10-5-12-8-16-10/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyRZVSHODISAEXTL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 62758526) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID62758526
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1cncs1
InChIInChI=1S/C11H17N3OS/c1-9(7-14-4-2-3-11(14)15)13-6-10-5-12-8-16-10/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyRZVSHODISAEXTL-UHFFFAOYSA-N
XLogP1.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one (CID 62758526) is 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1cncs1.
What is the InChIKey of 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is RZVSHODISAEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9(7-14-4-2-3-11(14)15)13-6-10-5-12-8-16-10/h5,8-9,13H,2-4,6-7H2,1H3.
What are the key properties of 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 62758526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).