2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine

C9H17BrN4S — CID 64623280

IUPAC2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nnc(Br)s1
InChIInChI=1S/C9H17BrN4S/c1-4-14(5-2)6-7(3)11-9-13-12-8(10)15-9/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyTZMCQVJAOFUQKF-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.44
Rot. Bonds6

About 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 64623280) has the molecular formula C9H17BrN4S and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID64623280
Molecular FormulaC9H17BrN4S
Molecular Weight293.23 g/mol
Exact Mass292.04
IUPAC Name2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nnc(Br)s1
InChIInChI=1S/C9H17BrN4S/c1-4-14(5-2)6-7(3)11-9-13-12-8(10)15-9/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyTZMCQVJAOFUQKF-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine 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 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 64623280) is 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)Nc1nnc(Br)s1.
What is the InChIKey of 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is TZMCQVJAOFUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4S/c1-4-14(5-2)6-7(3)11-9-13-12-8(10)15-9/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 293.23 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 64623280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).