Molecule

ID:17577

General Information
Structure
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
InChIKey
HSTFNSVDVOLQQH-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)CCc1ccccc1
Isomeric Smiles
c1(CCc2ccccc2)nnc(s1)N
Calculated Properties
JChem
Acid pKa
15.061876
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.005565
LogD (pH = 7.4)
2.0055888
Log P
2.0055892
Molar Refractivity
59.3265
Polarizability
21.495123
Polar Surface Area
51.8
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 39181-40-3|5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine|5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine|5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine|5-Phenethyl-[1,3,4]thiadiazol-2-ylamine|5-phenethyl-1,... | Molfinder