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Chemical ID: 5095137
Chemical ID:
5095137
Name [?]:
4-(2-methoxy-5-tert-butyl-phenyl)thiazole
SMILES [?]:
CC(C)(C)c1ccc(c(c1)c2cscn2)OC
InChi [?]:
InChI=1/C14H17NOS/c1-14(2,3)10-5-6-13(16-4)11(7-10)12-8-17-9-15-12/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,6,7,10,12,14,5,9,11,8,2,15,16,13/E:(1,2,3)/rA:17nCCCCCCCCCCCCSCNOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;d11;s12;s13;s11d14;s8;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68194 |
Area: | 426.983 |
Solvation: | -2.99264 |
Coulombic: | -13.1038 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.6 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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