5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

C7H8BrN5S2 — CID 130763162

IUPAC5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(CCNc2nnc(Br)s2)s1
InChIInChI=1S/C7H8BrN5S2/c1-4-10-11-5(14-4)2-3-9-7-13-12-6(8)15-7/h2-3H2,1H3,(H,9,13)
InChIKeyQNYOBTGGQLKGEL-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.12
Rot. Bonds4

About 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130763162) has the molecular formula C7H8BrN5S2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID130763162
Molecular FormulaC7H8BrN5S2
Molecular Weight306.21 g/mol
Exact Mass304.94
IUPAC Name5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(CCNc2nnc(Br)s2)s1
InChIInChI=1S/C7H8BrN5S2/c1-4-10-11-5(14-4)2-3-9-7-13-12-6(8)15-7/h2-3H2,1H3,(H,9,13)
InChIKeyQNYOBTGGQLKGEL-UHFFFAOYSA-N
XLogP2.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 130763162) is 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(CCNc2nnc(Br)s2)s1.
What is the InChIKey of 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QNYOBTGGQLKGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5S2/c1-4-10-11-5(14-4)2-3-9-7-13-12-6(8)15-7/h2-3H2,1H3,(H,9,13).
What are the key properties of 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 306.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130763162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).