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Chemical ID: 4296970
Chemical ID:
4296970
Name [?]:
N-(5-nitrothiazol-2-yl)thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,3,12,6,9,10,8,14,7,15,16,4,13/E:(13,14)/CRV:11.5/rA:16nCCCSCCONCNCCSN+OO-/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5N3O3S2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.91521 |
Area: | 423.444 |
Solvation: | -7.67089 |
Coulombic: | -39.1053 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.35 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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