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Chemical ID: 6216146
Chemical ID:
6216146
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2-methyl-propanamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)C(C)C)C(=O)C
InChi [?]:
InChI=1/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:11,12,1,15,10,2,13,3,8,5,6,7,14,9,4/E:(1,2)/rA:15nCCCSCNNCOCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87679 |
Area: | 404.079 |
Solvation: | -3.22518 |
Coulombic: | -31.6202 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.37 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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