5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine

C8H13BrN4S — CID 64623051

IUPAC5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC(Nc2nnc(Br)s2)C1
InChIInChI=1S/C8H13BrN4S/c1-13-4-2-3-6(5-13)10-8-12-11-7(9)14-8/h6H,2-5H2,1H3,(H,10,12)
InChIKeyNHBVKKLLOXFOKN-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.81
Rot. Bonds2

About 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623051) has the molecular formula C8H13BrN4S and a molecular weight of 277.19 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64623051
Molecular FormulaC8H13BrN4S
Molecular Weight277.19 g/mol
Exact Mass276.00
IUPAC Name5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC(Nc2nnc(Br)s2)C1
InChIInChI=1S/C8H13BrN4S/c1-13-4-2-3-6(5-13)10-8-12-11-7(9)14-8/h6H,2-5H2,1H3,(H,10,12)
InChIKeyNHBVKKLLOXFOKN-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine (CID 64623051) is 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine is CN1CCCC(Nc2nnc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NHBVKKLLOXFOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4S/c1-13-4-2-3-6(5-13)10-8-12-11-7(9)14-8/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 277.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).