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Chemical ID: 4982216
Chemical ID:
4982216
Name [?]:
4-(4-ethoxy-2,5-dimethyl-phenyl)thiazol-2-amine
SMILES [?]:
CCOc1cc(c(cc1C)c2csc(n2)N)C
InChi [?]:
InChI=1/C13H16N2OS/c1-4-16-12-6-8(2)10(5-9(12)3)11-7-17-13(14)15-11/h5-7H,4H2,1-3H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,10,2,8,5,12,6,9,7,11,4,14,16,15,3,13/rA:17nCCOCCCCCCCCCSCNNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s14;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71568 |
Area: | 440.662 |
Solvation: | -2.30087 |
Coulombic: | -30.429 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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