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Chemical ID: 4990091
Chemical ID:
4990091
Name [?]:
2-diethylamino-N-thiazol-2-yl-acetamide
SMILES [?]:
CCN(CC)CC(=O)Nc1nccs1
InChi [?]:
InChI=1/C9H15N3OS/c1-3-12(4-2)7-8(13)11-9-10-5-6-14-9/h5-6H,3-4,7H2,1-2H3,(H,10,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,6,7,10,11,9,3,8,14/E:(1,2)(3,4)/rA:14nCCNCCCCONCNCCS/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N3OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.46118 |
Area: | 400.208 |
Solvation: | -3.54403 |
Coulombic: | -29.0825 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.22 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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