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Chemical ID: 3995154
Chemical ID:
3995154
Name [?]:
N-[(2-methoxyphenyl)methyl]-4-(p-tolyl)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NCc3ccccc3OC
InChi [?]:
InChI=1/C18H18N2OS/c1-13-7-9-14(10-8-13)16-12-22-18(20-16)19-11-15-5-3-4-6-17(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,16,19,3,7,4,6,14,9,2,5,15,8,20,11,13,12,21,10/E:(7,8)(9,10)/rA:22nCCCCCCCCCSCNNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2188 |
Area: | 530.542 |
Solvation: | -3.04477 |
Coulombic: | -27.7159 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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