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Chemical ID: 5095614
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
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Experimental Annotations
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Descriptor Annotations
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