7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12N6OS — CID 86650066

IUPAC7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(C(C)N=[N+]=[N-])c(-c3ccccn3)c(=O)n12
InChIInChI=1S/C14H12N6OS/c1-8-7-22-14-17-12(9(2)18-19-15)11(13(21)20(8)14)10-5-3-4-6-16-10/h3-7,9H,1-2H3
InChIKeyOCLYZQMFNICDEF-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.50
Rot. Bonds3

About 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86650066) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86650066
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(C(C)N=[N+]=[N-])c(-c3ccccn3)c(=O)n12
InChIInChI=1S/C14H12N6OS/c1-8-7-22-14-17-12(9(2)18-19-15)11(13(21)20(8)14)10-5-3-4-6-16-10/h3-7,9H,1-2H3
InChIKeyOCLYZQMFNICDEF-UHFFFAOYSA-N
XLogP3.50
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.50
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 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86650066) is 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(C(C)N=[N+]=[N-])c(-c3ccccn3)c(=O)n12.
What is the InChIKey of 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OCLYZQMFNICDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-8-7-22-14-17-12(9(2)18-19-15)11(13(21)20(8)14)10-5-3-4-6-16-10/h3-7,9H,1-2H3.
What are the key properties of 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 312.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azidoethyl)-3-methyl-6-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86650066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).