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Chemical ID: 4982283
Chemical ID:
4982283
Name [?]:
4-(5-ethyl-2-methoxy-phenyl)thiazol-2-amine
SMILES [?]:
CCc1ccc(c(c1)c2csc(n2)N)OC
InChi [?]:
InChI=1/C12H14N2OS/c1-3-8-4-5-11(15-2)9(6-8)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,4,5,8,10,3,7,9,6,12,14,13,15,11/rA:16nCCCCCCCCCCSCNNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s6;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33156 |
Area: | 415.198 |
Solvation: | -3.0484 |
Coulombic: | -29.6201 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.318 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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