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Chemical ID: 3988087
Chemical ID:
3988087
Name [?]:
2-(1-amino-3-methyl-butyl)-N-[(2-chlorophenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
CC(C)CC(c1nc(cs1)C(=O)NCc2ccccc2Cl)N
InChi [?]:
InChI=1/C16H20ClN3OS/c1-10(2)7-13(18)16-20-14(9-22-16)15(21)19-8-11-5-3-4-6-12(11)17/h3-6,9-10,13H,7-8,18H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,16,19,4,14,9,2,15,20,5,8,11,6,21,22,13,7,12,10/E:(1,2)/rA:22cCCCCCCNCCSCONCCCCCCCClN/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20ClN3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.221 |
Area: | 563.332 |
Solvation: | -1.86225 |
Coulombic: | -43.65 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.868 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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