[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol

C4H4F2N2OS — CID 125450224

IUPAC[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2OS/c5-3(6)4-8-7-2(1-9)10-4/h3,9H,1H2
InChIKeyXOZVBLXJTKZMSW-UHFFFAOYSA-N
MW166.15 g/mol
LogP0.97
Rot. Bonds2

About [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol

[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 125450224) has the molecular formula C4H4F2N2OS and a molecular weight of 166.15 g/mol. Its IUPAC name is [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID125450224
Molecular FormulaC4H4F2N2OS
Molecular Weight166.15 g/mol
Exact Mass166.00
IUPAC Name[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2OS/c5-3(6)4-8-7-2(1-9)10-4/h3,9H,1H2
InChIKeyXOZVBLXJTKZMSW-UHFFFAOYSA-N
XLogP0.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol (CID 125450224) is [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol is OCc1nnc(C(F)F)s1.
What is the InChIKey of [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is XOZVBLXJTKZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2OS/c5-3(6)4-8-7-2(1-9)10-4/h3,9H,1H2.
What are the key properties of [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol?
[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 166.15 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 125450224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).