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Chemical ID: 5940854
Chemical ID:
5940854
Name [?]:
N-isobutyl-2-[(isobutyl-(2-methylpropanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1csc(n1)CN(CC(C)C)C(=O)C(C)C
InChi [?]:
InChI=1/C17H29N3O2S/c1-11(2)7-18-16(21)14-10-23-15(19-14)9-20(8-12(3)4)17(22)13(5)6/h10-13H,7-9H2,1-6H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,22,23,4,15,13,9,2,16,21,8,11,6,19,5,12,14,7,20,10/E:(1,2)(3,4)(5,6)/rA:23nCCCCNCOCCSCNCNCCCCCOCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s16;s14;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6222 |
Area: | 569.025 |
Solvation: | -2.60347 |
Coulombic: | -45.814 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 339.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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