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

C8H11N3OS — CID 15979797

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESNc1ncc(CN2CCCC2=O)s1
InChIInChI=1S/C8H11N3OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2,(H2,9,10)
InChIKeyUZCGIAGUHNTBAE-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.85
Rot. Bonds2

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 15979797) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID15979797
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESNc1ncc(CN2CCCC2=O)s1
InChIInChI=1S/C8H11N3OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2,(H2,9,10)
InChIKeyUZCGIAGUHNTBAE-UHFFFAOYSA-N
XLogP0.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (CID 15979797) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is Nc1ncc(CN2CCCC2=O)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is UZCGIAGUHNTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2,(H2,9,10).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 15979797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).