Chemical ID: 3987942

c1cc(c(cc1CNC(=O)c2csc(n2)C3CCCNC3)F)F
Chemical ID:
3987942
Name [?]:
N-[(3,4-difluorophenyl)methyl]-2-(3-piperidyl)thiazole-4-carboxamide
SMILES [?]:
c1cc(c(cc1CNC(=O)c2csc(n2)C3CCCNC3)F)F
InChi [?]:
InChI=1/C16H17F2N3OS/c17-12-4-3-10(6-13(12)18)7-20-15(22)14-9-23-16(21-14)11-2-1-5-19-8-11/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:18,17,1,2,19,5,7,21,12,6,16,3,4,11,9,14,23,22,20,8,15,10,13/rA:23cCCCCCCCNCOCCSCNCCCCNCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s12;s13;s11d14;s14;s16;s17;s18;s19;s16s20;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17F2N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.47882
Area:528.57
Solvation:-3.73543
Coulombic:-45.0748
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.389
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):2.19

Name Annotations

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Descriptor Annotations

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