4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C11H7FN2S — CID 11579421

IUPAC4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(F)cn2)cs1
InChIInChI=1S/C11H7FN2S/c1-8-14-11(7-15-8)5-4-10-3-2-9(12)6-13-10/h2-3,6-7H,1H3
InChIKeyNWROJBFLURCECX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.39
Rot. Bonds

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

4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11579421) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID11579421
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(F)cn2)cs1
InChIInChI=1S/C11H7FN2S/c1-8-14-11(7-15-8)5-4-10-3-2-9(12)6-13-10/h2-3,6-7H,1H3
InChIKeyNWROJBFLURCECX-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 11579421) is 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2ccc(F)cn2)cs1.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is NWROJBFLURCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c1-8-14-11(7-15-8)5-4-10-3-2-9(12)6-13-10/h2-3,6-7H,1H3.
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 218.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11579421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).