5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine

C9H7Br2N3OS — CID 1358233

IUPAC5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C9H7Br2N3OS/c10-5-1-2-7(6(11)3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14)
InChIKeyHITDZPRYNPFETI-UHFFFAOYSA-N
MW365.05 g/mol
LogP3.22
Rot. Bonds3

About 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1358233) has the molecular formula C9H7Br2N3OS and a molecular weight of 365.05 g/mol. Its IUPAC name is 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID1358233
Molecular FormulaC9H7Br2N3OS
Molecular Weight365.05 g/mol
Exact Mass362.87
IUPAC Name5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C9H7Br2N3OS/c10-5-1-2-7(6(11)3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14)
InChIKeyHITDZPRYNPFETI-UHFFFAOYSA-N
XLogP3.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 1358233) is 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(COc2ccc(Br)cc2Br)s1.
What is the InChIKey of 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HITDZPRYNPFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3OS/c10-5-1-2-7(6(11)3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14).
What are the key properties of 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 365.05 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).