4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine

C9H6Br3N3OS — CID 62193307

IUPAC4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H6Br3N3OS/c10-4-1-5(11)8(6(12)2-4)16-3-7-9(13)17-15-14-7/h1-2H,3,13H2
InChIKeyNVQOOZUZCJHQMR-UHFFFAOYSA-N
MW443.95 g/mol
LogP3.99
Rot. Bonds3

About 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine

4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193307) has the molecular formula C9H6Br3N3OS and a molecular weight of 443.95 g/mol. Its IUPAC name is 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193307
Molecular FormulaC9H6Br3N3OS
Molecular Weight443.95 g/mol
Exact Mass440.78
IUPAC Name4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H6Br3N3OS/c10-4-1-5(11)8(6(12)2-4)16-3-7-9(13)17-15-14-7/h1-2H,3,13H2
InChIKeyNVQOOZUZCJHQMR-UHFFFAOYSA-N
XLogP3.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine (CID 62193307) is 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is NVQOOZUZCJHQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br3N3OS/c10-4-1-5(11)8(6(12)2-4)16-3-7-9(13)17-15-14-7/h1-2H,3,13H2.
What are the key properties of 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine?
4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 443.95 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).