Chemical ID: 6366702

Cc1c(sc(n1)NC(=O)CCC2CCCCC2)C(=O)OC
Chemical ID:
6366702
Name [?]:
methyl 2-(3-cyclohexylpropanoylamino)-4-methyl-thiazole-5-carboxylate
SMILES [?]:
Cc1c(sc(n1)NC(=O)CCC2CCCCC2)C(=O)OC
InChi [?]:
InChI=1/C15H22N2O3S/c1-10-13(14(19)20-2)21-15(16-10)17-12(18)9-8-11-6-4-3-5-7-11/h11H,3-9H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,15,14,16,13,17,11,10,2,12,8,3,18,5,6,7,9,19,20,4/E:(4,5)(6,7)/rA:21nCCCSCNNCOCCCCCCCCCOOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s3;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1474
Area:517.019
Solvation:-2.77808
Coulombic:-45.4813
Bond Count [?]
All:22
Single:18
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:310.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):2.53

Name Annotations

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Descriptor Annotations

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