(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol

C9H6BrFN2OS — CID 105113694

IUPAC(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyFFGZVDOBUBDLJP-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.52
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol

(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol (PubChem CID 105113694) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
PubChem CID105113694
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyFFGZVDOBUBDLJP-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol (CID 105113694) is (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol is OC(c1csnn1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol?
The InChIKey is FFGZVDOBUBDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H.
What are the key properties of (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol has a molecular weight of 289.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105113694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).