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Chemical ID: 5461084
Chemical ID:
5461084
Name [?]:
4-(4-methoxyphenyl)-2-methyl-5-propyl-thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C14H17NOS/c1-4-5-13-14(15-10(2)17-13)11-6-8-12(16-3)9-7-11/h6-9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,17,2,3,11,15,12,14,7,10,13,4,5,6,16,8/E:(6,7)(8,9)/rA:17nCCCCCNCSCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83741 |
Area: | 444.967 |
Solvation: | -2.28677 |
Coulombic: | -14.1913 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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