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Chemical ID: 3987872
Chemical ID:
3987872
Name [?]:
N-(2-methylcyclohexyl)-2-(3-piperidyl)thiazole-4-carboxamide
SMILES [?]:
CC1CCCCC1NC(=O)c2csc(n2)C3CCCNC3
InChi [?]:
InChI=1/C16H25N3OS/c1-11-5-2-3-7-13(11)18-15(20)14-10-21-16(19-14)12-6-4-8-17-9-12/h10-13,17H,2-9H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,18,3,17,6,19,21,12,2,16,7,11,9,14,20,8,15,10,13/rA:21cCCCCCCCNCOCCSCNCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;d11;s12;s13;s11d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1556 |
Area: | 508.593 |
Solvation: | -1.55925 |
Coulombic: | -38.2364 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.455 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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