[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol

C5H5F2NO2S — CID 54288557

IUPAC[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(OC(F)F)n1
InChIInChI=1S/C5H5F2NO2S/c6-4(7)10-5-8-3(1-9)2-11-5/h2,4,9H,1H2
InChIKeyRVWSADXEUZDTEG-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.24
Rot. Bonds3

About [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol

[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol (PubChem CID 54288557) has the molecular formula C5H5F2NO2S and a molecular weight of 181.16 g/mol. Its IUPAC name is [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol
PubChem CID54288557
Molecular FormulaC5H5F2NO2S
Molecular Weight181.16 g/mol
Exact Mass181.00
IUPAC Name[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(OC(F)F)n1
InChIInChI=1S/C5H5F2NO2S/c6-4(7)10-5-8-3(1-9)2-11-5/h2,4,9H,1H2
InChIKeyRVWSADXEUZDTEG-UHFFFAOYSA-N
XLogP1.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol (CID 54288557) is [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol is OCc1csc(OC(F)F)n1.
What is the InChIKey of [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol?
The InChIKey is RVWSADXEUZDTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2S/c6-4(7)10-5-8-3(1-9)2-11-5/h2,4,9H,1H2.
What are the key properties of [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol?
[2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol has a molecular weight of 181.16 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 54288557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).