Chemical ID: 5095614

CCOc1ccccc1c2cscn2
Chemical ID:
5095614
Name [?]:
4-(2-ethoxyphenyl)thiazole
SMILES [?]:
CCOc1ccccc1c2cscn2
InChi [?]:
InChI=1/C11H11NOS/c1-2-13-11-6-4-3-5-9(11)10-7-14-8-12-10/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,11,13,9,10,4,14,3,12/rA:14nCCOCCCCCCCCSCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.40201
Area:372.984
Solvation:-2.92259
Coulombic:-12.6847
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.277
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):2.57

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