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Chemical ID: 3988181
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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