4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole

C8H4ClFN2S — CID 83157866

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole
SMILESFc1cncc(-c2nc(Cl)cs2)c1
InChIInChI=1S/C8H4ClFN2S/c9-7-4-13-8(12-7)5-1-6(10)3-11-2-5/h1-4H
InChIKeyBQCFATGKTHOWMC-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole

4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole (PubChem CID 83157866) has the molecular formula C8H4ClFN2S and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole
PubChem CID83157866
Molecular FormulaC8H4ClFN2S
Molecular Weight214.65 g/mol
Exact Mass213.98
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole
SMILESFc1cncc(-c2nc(Cl)cs2)c1
InChIInChI=1S/C8H4ClFN2S/c9-7-4-13-8(12-7)5-1-6(10)3-11-2-5/h1-4H
InChIKeyBQCFATGKTHOWMC-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole (CID 83157866) is 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole is Fc1cncc(-c2nc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole?
The InChIKey is BQCFATGKTHOWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S/c9-7-4-13-8(12-7)5-1-6(10)3-11-2-5/h1-4H.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole?
4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole has a molecular weight of 214.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 83157866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).