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

C4H3F2NOS — CID 84763236

IUPAC2-(difluoromethyl)-1,3-thiazol-5-ol
SMILESOc1cnc(C(F)F)s1
InChIInChI=1S/C4H3F2NOS/c5-3(6)4-7-1-2(8)9-4/h1,3,8H
InChIKeyWBRLATWUEBPKPO-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.79
Rot. Bonds1

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

2-(difluoromethyl)-1,3-thiazol-5-ol (PubChem CID 84763236) has the molecular formula C4H3F2NOS and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazol-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazol-5-ol
PubChem CID84763236
Molecular FormulaC4H3F2NOS
Molecular Weight151.14 g/mol
Exact Mass150.99
IUPAC Name2-(difluoromethyl)-1,3-thiazol-5-ol
SMILESOc1cnc(C(F)F)s1
InChIInChI=1S/C4H3F2NOS/c5-3(6)4-7-1-2(8)9-4/h1,3,8H
InChIKeyWBRLATWUEBPKPO-UHFFFAOYSA-N
XLogP1.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Thiazol-5-ol
CID 20086733
2-Methyl-5-hydroxythiazole
CID 45787618
2-Fluoro-1,3-thiazol-5-ol
CID 68751324
5-(Trifluoromethoxy)-1,3-thiazole
CID 118363937
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
(5-Fluoro-1,3-thiazol-2-yl)methanol
CID 123370875
5-(Difluoromethoxy)-1,3-thiazole
CID 154460414
[5-(2,2-Difluoroethoxy)-1,3-thiazol-2-yl]methanol
CID 166088383
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-thiazol-5-ol?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazol-5-ol (CID 84763236) is 2-(difluoromethyl)-1,3-thiazol-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazol-5-ol?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazol-5-ol is Oc1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazol-5-ol?
The InChIKey is WBRLATWUEBPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NOS/c5-3(6)4-7-1-2(8)9-4/h1,3,8H.
What are the key properties of 2-(difluoromethyl)-1,3-thiazol-5-ol?
2-(difluoromethyl)-1,3-thiazol-5-ol has a molecular weight of 151.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-thiazol-5-ol is sourced from PubChem (CID 84763236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).