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Chemical ID: 6474305
Chemical ID:
6474305
Name [?]:
N-[[4-(4-methoxyphenyl)thiazol-2-yl]thiocarbamoyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(=S)Nc1nc(cs1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C16H19N3O2S2/c1-10(2)8-14(20)18-15(22)19-16-17-13(9-23-16)11-4-6-12(21-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,17,21,18,20,4,14,2,16,19,13,5,8,11,12,7,10,6,22,9,15/E:(1,2)(4,5)(6,7)/rA:23nCCCCCONCSNCNCCSCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O2S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89126 |
Area: | 554.88 |
Solvation: | -3.98074 |
Coulombic: | -45.6429 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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