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

Name: 4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₇FN₂S — CID 11579421

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID	11579421
Molecular Formula	C₁₁H₇FN₂S
Molecular Weight	218.26 g/mol
Exact Mass	218.03
IUPAC Name	4-[2-(5-fluoro-2-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILES	Cc1nc(C#Cc2ccc(F)cn2)cs1
InChI	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
InChIKey	NWROJBFLURCECX-UHFFFAOYSA-N
XLogP	2.39
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.26
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 11579421 — identifiers, structure, computed properties (public domain)

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