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

C9H15BrN4S — CID 64623703

IUPAC5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC(N(C)c2nnc(Br)s2)C1
InChIInChI=1S/C9H15BrN4S/c1-13-5-3-4-7(6-13)14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyLJQFJIKKONGKLD-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.83
Rot. Bonds2

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

5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623703) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64623703
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC(N(C)c2nnc(Br)s2)C1
InChIInChI=1S/C9H15BrN4S/c1-13-5-3-4-7(6-13)14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyLJQFJIKKONGKLD-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine (CID 64623703) is 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine is CN1CCCC(N(C)c2nnc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LJQFJIKKONGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-13-5-3-4-7(6-13)14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 291.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).