Chemical ID: 3987963

CC(C1CCCCC1)NC(=O)c2csc(n2)C3CCCN3
Chemical ID:
3987963
Name [?]:
N-(1-cyclohexylethyl)-2-pyrrolidin-2-yl-thiazole-4-carboxamide
SMILES [?]:
CC(C1CCCCC1)NC(=O)c2csc(n2)C3CCCN3
InChi [?]:
InChI=1/C16H25N3OS/c1-11(12-6-3-2-4-7-12)18-15(20)14-10-21-16(19-14)13-8-5-9-17-13/h10-13,17H,2-9H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,19,4,8,18,20,13,2,3,17,12,10,15,21,9,16,11,14/E:(3,4)(6,7)/rA:21cCCCCCCCCNCOCCSCNCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;s9;d10;s10;d12;s13;s14;s12d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:11.2841
Area:515.931
Solvation:-1.61423
Coulombic:-38.5976
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.455
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue