Chemical ID: 5441593

CCCc1c(nc(s1)C)c2ccccc2
Chemical ID:
5441593
Name [?]:
2-methyl-4-phenyl-5-propyl-thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccccc2
InChi [?]:
InChI=1/C13H15NS/c1-3-7-12-13(14-10(2)15-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,13,12,14,3,11,15,7,10,4,5,6,8/E:(5,6)(8,9)/rA:15nCCCCCNCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.14527
Area:405.126
Solvation:-0.982881
Coulombic:-8.02657
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.331
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.39
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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