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Chemical ID: 4421053
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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