4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C13H11FN2OS — CID 10467832

IUPAC4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(OCC[18F])c2)cs1
InChIInChI=1S/C13H11FN2OS/c1-10-16-12(9-18-10)3-2-11-6-13(8-15-7-11)17-5-4-14/h6-9H,4-5H2,1H3/i14-1
InChIKeyFOONCMXUKYFYDL-UMSOTBISSA-N
MW261.31 g/mol
LogP2.59
Rot. Bonds3

About 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 10467832) has the molecular formula C13H11FN2OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID10467832
Molecular FormulaC13H11FN2OS
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(OCC[18F])c2)cs1
InChIInChI=1S/C13H11FN2OS/c1-10-16-12(9-18-10)3-2-11-6-13(8-15-7-11)17-5-4-14/h6-9H,4-5H2,1H3/i14-1
InChIKeyFOONCMXUKYFYDL-UMSOTBISSA-N
XLogP2.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 10467832) is 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2cncc(OCC[18F])c2)cs1.
What is the InChIKey of 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is FOONCMXUKYFYDL-UMSOTBISSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-10-16-12(9-18-10)3-2-11-6-13(8-15-7-11)17-5-4-14/h6-9H,4-5H2,1H3/i14-1.
What are the key properties of 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 261.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 10467832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).