4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one

C8H11N5OS — CID 168657098

IUPAC4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2=NCCS2)C1
InChIInChI=1S/C8H11N5OS/c9-12-11-4-6-3-7(14)13(5-6)8-10-1-2-15-8/h6H,1-5H2
InChIKeyGYVDPXCYZGZKEV-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.25
Rot. Bonds2

About 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 168657098) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID168657098
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2=NCCS2)C1
InChIInChI=1S/C8H11N5OS/c9-12-11-4-6-3-7(14)13(5-6)8-10-1-2-15-8/h6H,1-5H2
InChIKeyGYVDPXCYZGZKEV-UHFFFAOYSA-N
XLogP1.25
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 168657098) is 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(C2=NCCS2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is GYVDPXCYZGZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c9-12-11-4-6-3-7(14)13(5-6)8-10-1-2-15-8/h6H,1-5H2.
What are the key properties of 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 225.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168657098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).