Chemical ID: 5583884

Cc1cnc(s1)NC(=O)C(C)N2C(=O)C3CCCCC3C2=O
Chemical ID:
5583884
Name [?]:
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5-methylthiazol-2-yl)-propanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)C(C)N2C(=O)C3CCCCC3C2=O
InChi [?]:
InChI=1/C15H19N3O3S/c1-8-7-16-15(22-8)17-12(19)9(2)18-13(20)10-5-3-4-6-11(10)14(18)21/h7,9-11H,3-6H2,1-2H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,11,17,18,16,19,3,2,10,15,20,8,13,21,5,4,7,12,9,14,22,6/E:(3,4)(5,6)(10,11)(13,14)(20,21)/rA:22cCCCNCSNCOCCNCOCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:7.96184
Area:498.834
Solvation:-4.50901
Coulombic:-48.2636
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.24
LogP (Chemaxon):1.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue