Chemical ID: 3988087

CC(C)CC(c1nc(cs1)C(=O)NCc2ccccc2Cl)N
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

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Descriptor Annotations

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