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Chemical ID: 5940645
Chemical ID:
5940645
Name [?]:
N-butyl-2-[(butyl-(3,3-dimethylbutanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C19H33N3O2S/c1-6-8-10-20-18(24)15-14-25-16(21-15)13-22(11-9-7-2)17(23)12-19(3,4)5/h14H,6-13H2,1-5H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,18,23,24,25,2,17,3,16,4,15,21,13,9,8,11,19,6,22,5,12,14,20,7,10/E:(3,4,5)/rA:25nCCCCNCOCCSCNCNCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H33N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3979 |
Area: | 638.636 |
Solvation: | -2.56795 |
Coulombic: | -46.1314 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 367.55 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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