Chemical ID: 5461084

CCCc1c(nc(s1)C)c2ccc(cc2)OC
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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