[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol

C6H7F2NO2S — CID 166088383

IUPAC[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(OCC(F)F)s1
InChIInChI=1S/C6H7F2NO2S/c7-4(8)3-11-6-1-9-5(2-10)12-6/h1,4,10H,2-3H2
InChIKeyVHVIKOFEQURPDV-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.28
Rot. Bonds4

About [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol

[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol (PubChem CID 166088383) has the molecular formula C6H7F2NO2S and a molecular weight of 195.19 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol
PubChem CID166088383
Molecular FormulaC6H7F2NO2S
Molecular Weight195.19 g/mol
Exact Mass195.02
IUPAC Name[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(OCC(F)F)s1
InChIInChI=1S/C6H7F2NO2S/c7-4(8)3-11-6-1-9-5(2-10)12-6/h1,4,10H,2-3H2
InChIKeyVHVIKOFEQURPDV-UHFFFAOYSA-N
XLogP1.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-2-methylthiazole
CID 61976
5-Ethoxythiazole
CID 568152
5-(2,2,2-Trifluoroethoxy)-1,3-thiazole
CID 156409572
5-Ethoxy-2,3-dimethyl-1,3-thiazol-3-ium iodide
CID 24190102
5-Ethoxy-2-methyl-1,3-thiazole
CID 15363738
5-Ethoxy-2-(trifluoromethyl)-1,3-thiazole
CID 118164811
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
5-(Difluoromethoxy)-1,3-thiazole
CID 154460414
2-Bromo-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 156409669
5-(2,2-Difluoroethoxy)-2-propan-2-yl-1,3-thiazole
CID 166087640
2-(Bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 166087800
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 166088370

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol (CID 166088383) is [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol is OCc1ncc(OCC(F)F)s1.
What is the InChIKey of [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol?
The InChIKey is VHVIKOFEQURPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2S/c7-4(8)3-11-6-1-9-5(2-10)12-6/h1,4,10H,2-3H2.
What are the key properties of [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol?
[5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol has a molecular weight of 195.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxy)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 166088383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).