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Chemical ID: 5182148
Chemical ID:
5182148
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propanamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)C(C)(C)C)C(=O)C
InChi [?]:
InChI=1/C11H16N2O2S/c1-6-8(7(2)14)16-10(12-6)13-9(15)11(3,4)5/h1-5H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,11,12,13,2,14,3,8,5,10,6,7,15,9,4/E:(3,4,5)/rA:16nCCCSCNNCOCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s10;s10;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38158 |
Area: | 421.271 |
Solvation: | -3.1502 |
Coulombic: | -32.2403 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.57 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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