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Chemical ID: 4162860
Chemical ID:
4162860
Name [?]:
4-(2-ethoxyphenyl)thiazol-2-amine
SMILES [?]:
CCOc1ccccc1c2csc(n2)N
InChi [?]:
InChI=1/C11H12N2OS/c1-2-14-10-6-4-3-5-8(10)9-7-15-11(12)13-9/h3-7H,2H2,1H3,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,11,9,10,4,13,15,14,3,12/rA:15nCCOCCCCCCCCSCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7932 |
Area: | 391.023 |
Solvation: | -2.98236 |
Coulombic: | -29.7367 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.292 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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