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Chemical ID: 6637342
Chemical ID:
6637342
Name [?]:
N-(3-methoxypropyl)-N'-thiazol-2-yl-oxamide
SMILES [?]:
COCCCNC(=O)C(=O)Nc1nccs1
InChi [?]:
InChI=1/C9H13N3O3S/c1-15-5-2-3-10-7(13)8(14)12-9-11-4-6-16-9/h4,6H,2-3,5H2,1H3,(H,10,13)(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,4,5,14,3,15,7,9,12,6,13,11,8,10,2,16/rA:16nCOCCCNCOCONCNCCS/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s9;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N3O3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15264 |
Area: | 448.201 |
Solvation: | -4.0524 |
Coulombic: | -57.7948 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 243.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.8 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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