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Chemical ID: 6366702
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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Experimental Annotations
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Descriptor Annotations
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