Chemical ID: 3987931

c1cc(c(c(c1)F)CNC(=O)c2csc(n2)C3CCNCC3)F
Chemical ID:
3987931
Name [?]:
N-[(2,6-difluorophenyl)methyl]-2-(4-piperidyl)thiazole-4-carboxamide
SMILES [?]:
c1cc(c(c(c1)F)CNC(=O)c2csc(n2)C3CCNCC3)F
InChi [?]:
InChI=1/C16H17F2N3OS/c17-12-2-1-3-13(18)11(12)8-20-15(22)14-9-23-16(21-14)10-4-6-19-7-5-10/h1-3,9-10,19H,4-8H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,8,13,17,4,3,5,12,10,15,23,7,20,9,16,11,14/E:(2,3)(4,5)(6,7)(12,13)(17,18)/rA:23nCCCCCCFCNCOCCSCNCCCNCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;d12;s13;s14;s12d15;s15;s17;s18;s19;s20;s17s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17F2N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.43137
Area:525.085
Solvation:-3.69576
Coulombic:-44.2849
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):1.86

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Descriptor Annotations

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