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

C9H14BrN3S — CID 64622219

IUPAC5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C9H14BrN3S/c1-2-3-6-13(7-4-5-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3
InChIKeyHCYYJKFUXABFAJ-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.07
Rot. Bonds5

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

5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 64622219) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID64622219
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C9H14BrN3S/c1-2-3-6-13(7-4-5-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3
InChIKeyHCYYJKFUXABFAJ-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 64622219) is 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine is CCCCN(c1nnc(Br)s1)C1CC1.
What is the InChIKey of 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HCYYJKFUXABFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-2-3-6-13(7-4-5-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3.
What are the key properties of 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.20 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).