Chemical ID: 5940323

C=CCNc1nc(cs1)c2ccc(cc2)NC(=O)c3cccs3
Chemical ID:
5940323
Name [?]:
N-[4-(2-allylaminothiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILES [?]:
C=CCNc1nc(cs1)c2ccc(cc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C17H15N3OS2/c1-2-9-18-17-20-14(11-23-17)12-5-7-13(8-6-12)19-16(21)15-4-3-10-22-15/h2-8,10-11H,1,9H2,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,11,15,12,14,3,22,8,10,13,7,19,17,5,4,16,6,18,23,9/E:(5,6)(7,8)/rA:23nCCCNCNCCSCCCCCCNCOCCCCS/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9001
Area:568.651
Solvation:-2.31616
Coulombic:-42.8493
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.453
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.12
LogP (Chemaxon):4.18

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