Chemical ID: 4421053

CCNc1nnc(s1)c2ccccc2OC
Chemical ID:
4421053
Name [?]:
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILES [?]:
CCNc1nnc(s1)c2ccccc2OC
InChi [?]:
InChI=1/C11H13N3OS/c1-3-12-11-14-13-10(16-11)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,11,12,10,13,9,14,7,4,3,6,5,15,8/rA:16nCCNCNNCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s11;d12;d9s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.73146
Area:422.882
Solvation:-2.84058
Coulombic:-25.1177
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.307
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.19
LogP (Chemaxon):1.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue