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Chemical ID: 5852181
Chemical ID:
5852181
Name [?]:
N-cyclohexyl-4-(4-methoxyphenyl)-5-methyl-thiazol-2-amine
SMILES [?]:
Cc1c(nc(s1)NC2CCCCC2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H22N2OS/c1-12-16(13-8-10-15(20-2)11-9-13)19-17(21-12)18-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,11,10,12,9,13,15,19,16,18,2,14,8,17,3,5,7,4,20,6/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCCNCSNCCCCCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;s8s12;s3;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2303 |
Area: | 507.435 |
Solvation: | -2.45559 |
Coulombic: | -27.1677 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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