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

C10H7F3N2O2S — CID 16756658

IUPAC[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9/h1-4,16H,5H2
InChIKeyFBZLKIFUWJKQAD-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.60
Rot. Bonds3

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

[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol (PubChem CID 16756658) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
PubChem CID16756658
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9/h1-4,16H,5H2
InChIKeyFBZLKIFUWJKQAD-UHFFFAOYSA-N
XLogP2.60
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The IUPAC name of [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol (CID 16756658) is [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol.
What is the SMILES notation for [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The canonical SMILES for [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol is OCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1.
What is the InChIKey of [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The InChIKey is FBZLKIFUWJKQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9/h1-4,16H,5H2.
What are the key properties of [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol has a molecular weight of 276.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol is sourced from PubChem (CID 16756658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).