4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one

C12H12N6O2S — CID 168656522

IUPAC4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
SMILESCOc1ccc2nc(N3CC(CN=[N+]=[N-])CC3=O)sc2n1
InChIInChI=1S/C12H12N6O2S/c1-20-9-3-2-8-11(16-9)21-12(15-8)18-6-7(4-10(18)19)5-14-17-13/h2-3,7H,4-6H2,1H3
InChIKeySOZLDBUXINBKPI-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.36
Rot. Bonds4

About 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one (PubChem CID 168656522) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
PubChem CID168656522
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC Name4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
SMILESCOc1ccc2nc(N3CC(CN=[N+]=[N-])CC3=O)sc2n1
InChIInChI=1S/C12H12N6O2S/c1-20-9-3-2-8-11(16-9)21-12(15-8)18-6-7(4-10(18)19)5-14-17-13/h2-3,7H,4-6H2,1H3
InChIKeySOZLDBUXINBKPI-UHFFFAOYSA-N
XLogP2.36
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one (CID 168656522) is 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one is COc1ccc2nc(N3CC(CN=[N+]=[N-])CC3=O)sc2n1.
What is the InChIKey of 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The InChIKey is SOZLDBUXINBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-20-9-3-2-8-11(16-9)21-12(15-8)18-6-7(4-10(18)19)5-14-17-13/h2-3,7H,4-6H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one has a molecular weight of 304.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168656522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).