Chemical ID: 3988181

c1cc(ccc1CNC(=O)c2csc(n2)C3CCCNC3)S(=O)(=O)N
Chemical ID:
3988181
Name [?]:
2-(3-piperidyl)-N-[(4-sulfamoylphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)c2csc(n2)C3CCCNC3)S(=O)(=O)N
InChi [?]:
InChI=1/C16H20N4O3S2/c17-25(22,23)13-5-3-11(4-6-13)8-19-15(21)14-10-24-16(20-14)12-2-1-7-18-9-12/h3-6,10,12,18H,1-2,7-9H2,(H,19,21)(H2,17,22,23)
InChi Info:
AuxInfo=1/1/N:18,17,1,5,2,4,19,7,21,12,6,16,3,11,9,14,25,20,8,15,10,23,24,13,22/E:(3,4)(5,6)(22,23)/CRV:25.6/rA:25cCCCCCCCNCOCCSCNCCCCNCSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s12;s13;s11d14;s14;s16;s17;s18;s19;s16s20;s3;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N4O3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.4995
Area:593.655
Solvation:-3.34192
Coulombic:-53.4067
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.487
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:0.17
LogP (Chemaxon):0.1

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Descriptor Annotations

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