5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine

C6H8BrN3S — CID 64623881

IUPAC5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C6H8BrN3S/c1-10(4-2-3-4)6-9-8-5(7)11-6/h4H,2-3H2,1H3
InChIKeyDXRUBNWQPDXESP-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine

5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64623881) has the molecular formula C6H8BrN3S and a molecular weight of 234.12 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64623881
Molecular FormulaC6H8BrN3S
Molecular Weight234.12 g/mol
Exact Mass232.96
IUPAC Name5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C6H8BrN3S/c1-10(4-2-3-4)6-9-8-5(7)11-6/h4H,2-3H2,1H3
InChIKeyDXRUBNWQPDXESP-UHFFFAOYSA-N
XLogP1.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 64623881) is 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine is CN(c1nnc(Br)s1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DXRUBNWQPDXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3S/c1-10(4-2-3-4)6-9-8-5(7)11-6/h4H,2-3H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 234.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).