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

C10H7ClFNO2S — CID 79016783

IUPAC[4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cccc(F)c2)nc1Cl
InChIInChI=1S/C10H7ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-2-6(12)4-7/h1-4,14H,5H2
InChIKeyMUZPNCWFRVAPSO-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.22
Rot. Bonds3

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

[4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol (PubChem CID 79016783) has the molecular formula C10H7ClFNO2S and a molecular weight of 259.69 g/mol. Its IUPAC name is [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol
PubChem CID79016783
Molecular FormulaC10H7ClFNO2S
Molecular Weight259.69 g/mol
Exact Mass258.99
IUPAC Name[4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cccc(F)c2)nc1Cl
InChIInChI=1S/C10H7ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-2-6(12)4-7/h1-4,14H,5H2
InChIKeyMUZPNCWFRVAPSO-UHFFFAOYSA-N
XLogP3.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol (CID 79016783) is [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol is OCc1sc(Oc2cccc(F)c2)nc1Cl.
What is the InChIKey of [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol?
The InChIKey is MUZPNCWFRVAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-2-6(12)4-7/h1-4,14H,5H2.
What are the key properties of [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol has a molecular weight of 259.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79016783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).