Chemical ID: 4145735

c1ccnc(c1)C=NNc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4145735
Name [?]:
4-(3-nitrophenyl)-N-(2-pyridylmethyleneamino)thiazol-2-amine
SMILES [?]:
c1ccnc(c1)C=NNc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-10H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,6,18,3,20,7,13,15,5,19,12,10,4,8,11,9,21,22,23,14/E:(21,22)/CRV:20.5/rA:23nCCCNCCCNNCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N5O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.8706
Area:535.474
Solvation:-8.51626
Coulombic:-32.5627
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:325.346
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):4.55

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