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Chemical ID: 5940926
Chemical ID:
5940926
Name [?]:
2-[(hexanoyl-isopropyl-amino)methyl]-N-isopropyl-thiazole-4-carboxamide
SMILES [?]:
CCCCCC(=O)N(Cc1nc(cs1)C(=O)NC(C)C)C(C)C
InChi [?]:
InChI=1/C17H29N3O2S/c1-6-7-8-9-16(21)20(13(4)5)10-15-19-14(11-23-15)17(22)18-12(2)3/h11-13H,6-10H2,1-5H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,22,23,2,3,4,5,9,13,18,21,12,10,6,15,17,11,8,7,16,14/E:(2,3)(4,5)/rA:23nCCCCCCONCCNCCSCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;s18;s8;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.054 |
Area: | 582.116 |
Solvation: | -2.4989 |
Coulombic: | -45.184 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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