2-(1,1-difluoroethyl)-1,3-thiazol-5-ol

C5H5F2NOS — CID 84764875

IUPAC2-(1,1-difluoroethyl)-1,3-thiazol-5-ol
SMILESCC(F)(F)c1ncc(O)s1
InChIInChI=1S/C5H5F2NOS/c1-5(6,7)4-8-2-3(9)10-4/h2,9H,1H3
InChIKeyPYJYNBWFMFVVFR-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.96
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol

2-(1,1-difluoroethyl)-1,3-thiazol-5-ol (PubChem CID 84764875) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1,3-thiazol-5-ol
PubChem CID84764875
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name2-(1,1-difluoroethyl)-1,3-thiazol-5-ol
SMILESCC(F)(F)c1ncc(O)s1
InChIInChI=1S/C5H5F2NOS/c1-5(6,7)4-8-2-3(9)10-4/h2,9H,1H3
InChIKeyPYJYNBWFMFVVFR-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-hydroxythiazole
CID 45787618
2-Fluoro-1,3-thiazol-5-ol
CID 68751324
2-(5-Bromothiazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 118184044
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
2-Propan-2-yl-5-(trifluoromethoxy)-1,3-thiazole
CID 144946123
5-Methoxy-2-(trifluoromethyl)-1,3-thiazole
CID 174738938
Acetylene;methane;2-(trifluoromethyl)-1,3-thiazol-5-ol
CID 20086736
2-(Trifluoromethyl)thiazol-5-ol
CID 20086737
2-(Fluoromethyl)-1,3-thiazol-5-ol
CID 84762361
2-(Difluoromethyl)-1,3-thiazol-5-ol
CID 84763236
2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-ol
CID 84764357
Methane;1,3-thiazol-5-ol
CID 20086732

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol?
The IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol (CID 84764875) is 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol?
The canonical SMILES for 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol is CC(F)(F)c1ncc(O)s1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol?
The InChIKey is PYJYNBWFMFVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c1-5(6,7)4-8-2-3(9)10-4/h2,9H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol?
2-(1,1-difluoroethyl)-1,3-thiazol-5-ol has a molecular weight of 165.16 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1,3-thiazol-5-ol is sourced from PubChem (CID 84764875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).