Chemical ID: 4449616

CCOc1ccc(cc1)n2c(c(sc2=S)C(=O)N3CCN(CC3)C)N
Chemical ID:
4449616
Name [?]:
[4-amino-3-(4-ethoxyphenyl)-2-thioxo-thiazol-5-yl]-(4-methylpiperazin-1-yl)-methanone
SMILES [?]:
CCOc1ccc(cc1)n2c(c(sc2=S)C(=O)N3CCN(CC3)C)N
InChi [?]:
InChI=1/C17H22N4O2S2/c1-3-23-13-6-4-12(5-7-13)21-15(18)14(25-17(21)24)16(22)20-10-8-19(2)9-11-20/h4-7H,3,8-11,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,6,8,5,9,20,22,19,23,7,4,12,11,16,14,25,21,18,10,17,3,15,13/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCNCCSCSCONCCNCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s10s13;d14;s12;d16;s16;s18;s19;s20;s21;s18s22;s21;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0321
Area:569.262
Solvation:-3.19943
Coulombic:-53.5308
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.514
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.18
LogP (Chemaxon):1.89

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Descriptor Annotations

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