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Chemical ID: 4785314
Chemical ID:
4785314
Name [?]:
4-methoxy-6-(2-methylthiazol-4-yl)-1,3,5-triazin-2-amine
SMILES [?]:
Cc1nc(cs1)c2nc(nc(n2)OC)N
InChi [?]:
InChI=1/C8H9N5OS/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,5,2,4,7,9,11,15,3,8,12,10,13,6/rA:15nCCNCCSCNCNCNOCN/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s9;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9N5OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53973 |
Area: | 394.904 |
Solvation: | -2.33287 |
Coulombic: | -50.0088 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.24 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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