Chemical ID: 3988074

CC(c1nc(cs1)C(=O)NCc2cccnc2)N
Chemical ID:
3988074
Name [?]:
2-(1-aminoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide
SMILES [?]:
CC(c1nc(cs1)C(=O)NCc2cccnc2)N
InChi [?]:
InChI=1/C12H14N4OS/c1-8(13)12-16-10(7-18-12)11(17)15-6-9-3-2-4-14-5-9/h2-5,7-8H,6,13H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,17,11,6,2,12,5,8,3,18,16,10,4,9,7/rA:18cCCCNCCSCONCCCCCNCN/rB:s1;s2;d3;s4;d5;s3s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N4OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.1013
Area:465.041
Solvation:-2.52472
Coulombic:-45.2095
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.332
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.06
LogP (Chemaxon):0.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue