Chemical ID: 5852181

Cc1c(nc(s1)NC2CCCCC2)c3ccc(cc3)OC
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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