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Chemical ID: 4455985
Chemical ID:
4455985
Name [?]:
3-methyl-N-(4-tert-butylthiazol-2-yl)-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1nc(cs1)C(C)(C)C
InChi [?]:
InChI=1/C12H20N2OS/c1-8(2)6-10(15)14-11-13-9(7-16-11)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,16,4,11,2,10,5,8,13,9,7,6,12/E:(1,2)(3,4,5)/rA:16nCCCCCONCNCCSCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85414 |
Area: | 434.77 |
Solvation: | -2.01512 |
Coulombic: | -26.4383 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.47 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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