Chemical ID: 7176673

CCNCc1cnc(s1)c2ccccc2
Chemical ID:
7176673
Name [?]:
N-[(2-phenylthiazol-5-yl)methyl]ethanamine
SMILES [?]:
CCNCc1cnc(s1)c2ccccc2
InChi [?]:
InChI=1/C12H14N2S/c1-2-13-8-11-9-14-12(15-11)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,4,6,10,5,8,3,7,9/E:(4,5)(6,7)/rA:15nCCNCCCNCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2S
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.01282
Area:417.748
Solvation:-1.43089
Coulombic:-16.3785
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.319
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.69
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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