(5-bromo-1,2,4-thiadiazol-3-yl)methanol

C3H3BrN2OS — CID 131523028

IUPAC(5-bromo-1,2,4-thiadiazol-3-yl)methanol
SMILESOCc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2OS/c4-3-5-2(1-7)6-8-3/h7H,1H2
InChIKeyQTDGIPSZJOCZKK-UHFFFAOYSA-N
MW195.04 g/mol
LogP0.79
Rot. Bonds1

About (5-bromo-1,2,4-thiadiazol-3-yl)methanol

(5-bromo-1,2,4-thiadiazol-3-yl)methanol (PubChem CID 131523028) has the molecular formula C3H3BrN2OS and a molecular weight of 195.04 g/mol. Its IUPAC name is (5-bromo-1,2,4-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1,2,4-thiadiazol-3-yl)methanol
PubChem CID131523028
Molecular FormulaC3H3BrN2OS
Molecular Weight195.04 g/mol
Exact Mass193.91
IUPAC Name(5-bromo-1,2,4-thiadiazol-3-yl)methanol
SMILESOCc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2OS/c4-3-5-2(1-7)6-8-3/h7H,1H2
InChIKeyQTDGIPSZJOCZKK-UHFFFAOYSA-N
XLogP0.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,2,4-thiadiazol-3-yl)methanol?
The IUPAC name of (5-bromo-1,2,4-thiadiazol-3-yl)methanol (CID 131523028) is (5-bromo-1,2,4-thiadiazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-1,2,4-thiadiazol-3-yl)methanol?
The canonical SMILES for (5-bromo-1,2,4-thiadiazol-3-yl)methanol is OCc1nsc(Br)n1.
What is the InChIKey of (5-bromo-1,2,4-thiadiazol-3-yl)methanol?
The InChIKey is QTDGIPSZJOCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2OS/c4-3-5-2(1-7)6-8-3/h7H,1H2.
What are the key properties of (5-bromo-1,2,4-thiadiazol-3-yl)methanol?
(5-bromo-1,2,4-thiadiazol-3-yl)methanol has a molecular weight of 195.04 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,2,4-thiadiazol-3-yl)methanol is sourced from PubChem (CID 131523028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).