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Chemical ID: 4982181
Chemical ID:
4982181
Name [?]:
4-(2-ethoxy-5-methyl-phenyl)thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1c2csc(n2)N)C
InChi [?]:
InChI=1/C12H14N2OS/c1-3-15-11-5-4-8(2)6-9(11)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,5,8,11,7,9,10,4,13,15,14,3,12/rA:16nCCOCCCCCCCCSCNNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38197 |
Area: | 414.298 |
Solvation: | -2.9755 |
Coulombic: | -29.5123 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.318 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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