4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole

C9H4BrClFNOS — CID 116688950

IUPAC4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole
SMILESFc1c(Cl)cccc1Oc1nc(Br)cs1
InChIInChI=1S/C9H4BrClFNOS/c10-7-4-15-9(13-7)14-6-3-1-2-5(11)8(6)12/h1-4H
InChIKeyDPBZGYBGZNJXJD-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.49
Rot. Bonds2

About 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole

4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole (PubChem CID 116688950) has the molecular formula C9H4BrClFNOS and a molecular weight of 308.56 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole
PubChem CID116688950
Molecular FormulaC9H4BrClFNOS
Molecular Weight308.56 g/mol
Exact Mass306.89
IUPAC Name4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole
SMILESFc1c(Cl)cccc1Oc1nc(Br)cs1
InChIInChI=1S/C9H4BrClFNOS/c10-7-4-15-9(13-7)14-6-3-1-2-5(11)8(6)12/h1-4H
InChIKeyDPBZGYBGZNJXJD-UHFFFAOYSA-N
XLogP4.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole (CID 116688950) is 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole is Fc1c(Cl)cccc1Oc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole?
The InChIKey is DPBZGYBGZNJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFNOS/c10-7-4-15-9(13-7)14-6-3-1-2-5(11)8(6)12/h1-4H.
What are the key properties of 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole?
4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole has a molecular weight of 308.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-2-fluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 116688950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).