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Chemical ID: 6350633
Chemical ID:
6350633
Name [?]:
3-methyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-butanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CC(C)C)c2ccccc2
InChi [?]:
InChI=1/C15H18N2OS/c1-10(2)9-13(18)16-15-17-14(11(3)19-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:12,13,1,17,16,18,15,19,10,11,2,14,8,3,5,7,4,9,6/E:(1,2)(5,6)(7,8)/rA:19nCCCNCSNCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s11;s3;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75626 |
Area: | 476.822 |
Solvation: | -2.16429 |
Coulombic: | -27.8028 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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