Chemical ID: 5941549

c1cc(oc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCCC4
Chemical ID:
5941549
Name [?]:
N-[4-[2-(1-piperidyl)thiazol-4-yl]phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCCC4
InChi [?]:
InChI=1/C19H19N3O2S/c23-18(17-5-4-12-24-17)20-15-8-6-14(7-9-15)16-13-25-19(21-16)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,2,11,13,10,14,21,25,5,16,12,9,15,3,6,18,8,19,20,7,4,17/E:(2,3)(6,7)(8,9)(10,11)/rA:25nCCCOCCONCCCCCCCCSCNNCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;s15d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0183
Area:565.722
Solvation:-3.12471
Coulombic:-43.5373
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.439
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):4.38

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