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

C11H12BrN3S — CID 65268749

IUPAC3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2ccccc2Br)ns1
InChIInChI=1S/C11H12BrN3S/c1-2-13-11-14-10(15-16-11)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyWOBDZAKYALMRRC-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.32
Rot. Bonds4

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

3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268749) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65268749
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2ccccc2Br)ns1
InChIInChI=1S/C11H12BrN3S/c1-2-13-11-14-10(15-16-11)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyWOBDZAKYALMRRC-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-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 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine (CID 65268749) is 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine is CCNc1nc(Cc2ccccc2Br)ns1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WOBDZAKYALMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-2-13-11-14-10(15-16-11)7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 298.21 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).