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

C10H6ClF2NO2S — CID 80692426

IUPAC[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cc(F)ccc2F)nc1Cl
InChIInChI=1S/C10H6ClF2NO2S/c11-9-8(4-15)17-10(14-9)16-7-3-5(12)1-2-6(7)13/h1-3,15H,4H2
InChIKeySRDHMZDUXLUJJT-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.36
Rot. Bonds3

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

[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol (PubChem CID 80692426) has the molecular formula C10H6ClF2NO2S and a molecular weight of 277.68 g/mol. Its IUPAC name is [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol
PubChem CID80692426
Molecular FormulaC10H6ClF2NO2S
Molecular Weight277.68 g/mol
Exact Mass276.98
IUPAC Name[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cc(F)ccc2F)nc1Cl
InChIInChI=1S/C10H6ClF2NO2S/c11-9-8(4-15)17-10(14-9)16-7-3-5(12)1-2-6(7)13/h1-3,15H,4H2
InChIKeySRDHMZDUXLUJJT-UHFFFAOYSA-N
XLogP3.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol (CID 80692426) is [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol is OCc1sc(Oc2cc(F)ccc2F)nc1Cl.
What is the InChIKey of [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol?
The InChIKey is SRDHMZDUXLUJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NO2S/c11-9-8(4-15)17-10(14-9)16-7-3-5(12)1-2-6(7)13/h1-3,15H,4H2.
What are the key properties of [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol has a molecular weight of 277.68 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).