Chemical ID: 5095624

CCOc1cccc(c1)c2cscn2
Chemical ID:
5095624
Name [?]:
4-(3-ethoxyphenyl)thiazole
SMILES [?]:
CCOc1cccc(c1)c2cscn2
InChi [?]:
InChI=1/C11H11NOS/c1-2-13-10-5-3-4-9(6-10)11-7-14-8-12-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,9,11,13,8,4,10,14,3,12/rA:14nCCOCCCCCCCCSCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s11;s12;s10d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.09496
Area:382.805
Solvation:-2.47517
Coulombic:-13.4839
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

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Experimental Annotations

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Descriptor Annotations

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