Chemical ID: 3987872

CC1CCCCC1NC(=O)c2csc(n2)C3CCCNC3
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

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Descriptor Annotations

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