Chemical ID: 4444477

c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nccs3
Chemical ID:
4444477
Name [?]:
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-thiazol-2-yl-acetamide
SMILES [?]:
c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nccs3
InChi [?]:
InChI=1/C13H10N4O2S2/c18-10(15-12-14-6-7-20-12)8-21-13-17-16-11(19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,13,4,14,7,17,10,18,16,8,9,15,11,21,12/E:(2,3)(4,5)/rA:21nCCCCCCCNNCOSCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N4O2S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.4251
Area:521.57
Solvation:-3.61414
Coulombic:-40.4315
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.376
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.69
LogP (Chemaxon):2.49

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Descriptor Annotations

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