7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one

C16H13FN4OS — CID 134229019

IUPAC7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1csc2cc(C(C)N=[N+]=[N-])c(-c3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C16H13FN4OS/c1-9-8-23-14-7-13(10(2)19-20-18)15(16(22)21(9)14)11-3-5-12(17)6-4-11/h3-8,10H,1-2H3
InChIKeyGJAXUGMTXCSBLW-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.85
Rot. Bonds3

About 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one

7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 134229019) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID134229019
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1csc2cc(C(C)N=[N+]=[N-])c(-c3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C16H13FN4OS/c1-9-8-23-14-7-13(10(2)19-20-18)15(16(22)21(9)14)11-3-5-12(17)6-4-11/h3-8,10H,1-2H3
InChIKeyGJAXUGMTXCSBLW-UHFFFAOYSA-N
XLogP4.85
TPSA70.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.85
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 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 134229019) is 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one is Cc1csc2cc(C(C)N=[N+]=[N-])c(-c3ccc(F)cc3)c(=O)n12.
What is the InChIKey of 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is GJAXUGMTXCSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-9-8-23-14-7-13(10(2)19-20-18)15(16(22)21(9)14)11-3-5-12(17)6-4-11/h3-8,10H,1-2H3.
What are the key properties of 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 328.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azidoethyl)-6-(4-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 134229019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).