Chemical ID: 6001413

CCCN(CC(=O)Nc1ncc(s1)C)C(=O)COC
Chemical ID:
6001413
Name [?]:
2-[(2-methoxyacetyl)-propyl-amino]-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1ncc(s1)C)C(=O)COC
InChi [?]:
InChI=1/C12H19N3O3S/c1-4-5-15(11(17)8-18-3)7-10(16)14-12-13-6-9(2)19-12/h6H,4-5,7-8H2,1-3H3,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,14,19,2,3,11,5,17,12,6,15,9,10,8,4,7,16,18,13/rA:19nCCCNCCONCNCCSCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s4;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.22669
Area:502.782
Solvation:-6.34286
Coulombic:-47.7522
Bond Count [?]
All:19
Single:15
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.72
LogP (Chemaxon):0.33

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Descriptor Annotations

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