Chemical ID: 5403797

Cc1ccc2c(c1)sc(n2)NC(=O)CSc3nc(cs3)C
Chemical ID:
5403797
Name [?]:
N-(6-methylbenzothiazol-2-yl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)CSc3nc(cs3)C
InChi [?]:
InChI=1/C14H13N3OS3/c1-8-3-4-10-11(5-8)21-13(16-10)17-12(18)7-20-14-15-9(2)6-19-14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,3,4,7,19,14,2,18,5,6,12,9,16,17,10,11,13,20,15,8/rA:21nCCCCCCCSCNNCOCSCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3OS3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.74807
Area:532.383
Solvation:-3.56151
Coulombic:-31.0775
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.471
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):4.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue