Chemical ID: 5469757

CCCc1c(nc(s1)C)c2ccc(cc2)C
Chemical ID:
5469757
Name [?]:
2-methyl-5-propyl-4-(p-tolyl)thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C14H17NS/c1-4-5-13-14(15-11(3)16-13)12-8-6-10(2)7-9-12/h6-9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,9,2,3,12,14,11,15,13,7,10,4,5,6,8/E:(6,7)(8,9)/rA:16nCCCCCNCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.71138
Area:428.201
Solvation:-0.993637
Coulombic:-7.77324
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.358
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.83
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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