[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

C10H6BrClFNO2S — CID 80692516

IUPAC[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2ccc(F)cc2Br)nc1Cl
InChIInChI=1S/C10H6BrClFNO2S/c11-6-3-5(13)1-2-7(6)16-10-14-9(12)8(4-15)17-10/h1-3,15H,4H2
InChIKeyVIHCKNZCSPLDQG-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.98
Rot. Bonds3

About [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80692516) has the molecular formula C10H6BrClFNO2S and a molecular weight of 338.59 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80692516
Molecular FormulaC10H6BrClFNO2S
Molecular Weight338.59 g/mol
Exact Mass336.90
IUPAC Name[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2ccc(F)cc2Br)nc1Cl
InChIInChI=1S/C10H6BrClFNO2S/c11-6-3-5(13)1-2-7(6)16-10-14-9(12)8(4-15)17-10/h1-3,15H,4H2
InChIKeyVIHCKNZCSPLDQG-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80692516) is [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is OCc1sc(Oc2ccc(F)cc2Br)nc1Cl.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is VIHCKNZCSPLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO2S/c11-6-3-5(13)1-2-7(6)16-10-14-9(12)8(4-15)17-10/h1-3,15H,4H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 338.59 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).