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

C5H5F2NOS — CID 84652029

IUPAC[5-(difluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(C(F)F)s1
InChIInChI=1S/C5H5F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1,5,9H,2H2
InChIKeyMYMIONUWRSGIKZ-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.57
Rot. Bonds2

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

[5-(difluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 84652029) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID84652029
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name[5-(difluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(C(F)F)s1
InChIInChI=1S/C5H5F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1,5,9H,2H2
InChIKeyMYMIONUWRSGIKZ-UHFFFAOYSA-N
XLogP1.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol (CID 84652029) is [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol is OCc1ncc(C(F)F)s1.
What is the InChIKey of [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is MYMIONUWRSGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1,5,9H,2H2.
What are the key properties of [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol?
[5-(difluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 165.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 84652029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).