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

C8H4ClFN2OS — CID 130621219

IUPAC4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole
SMILESFc1cncc(Oc2nc(Cl)cs2)c1
InChIInChI=1S/C8H4ClFN2OS/c9-7-4-14-8(12-7)13-6-1-5(10)2-11-3-6/h1-4H
InChIKeyNPERRARVDBDQOX-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.12
Rot. Bonds2

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

4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole (PubChem CID 130621219) has the molecular formula C8H4ClFN2OS and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole
PubChem CID130621219
Molecular FormulaC8H4ClFN2OS
Molecular Weight230.65 g/mol
Exact Mass229.97
IUPAC Name4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole
SMILESFc1cncc(Oc2nc(Cl)cs2)c1
InChIInChI=1S/C8H4ClFN2OS/c9-7-4-14-8(12-7)13-6-1-5(10)2-11-3-6/h1-4H
InChIKeyNPERRARVDBDQOX-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole (CID 130621219) is 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole is Fc1cncc(Oc2nc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole?
The InChIKey is NPERRARVDBDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2OS/c9-7-4-14-8(12-7)13-6-1-5(10)2-11-3-6/h1-4H.
What are the key properties of 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole?
4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole has a molecular weight of 230.65 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole is sourced from PubChem (CID 130621219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).