Chemical ID: 3987767

CCCC(c1nc(cs1)C(=O)NCC2CCCCC2)N
Chemical ID:
3987767
Name [?]:
2-(1-aminobutyl)-N-(cyclohexylmethyl)thiazole-4-carboxamide
SMILES [?]:
CCCC(c1nc(cs1)C(=O)NCC2CCCCC2)N
InChi [?]:
InChI=1/C15H25N3OS/c1-2-6-12(16)15-18-13(10-20-15)14(19)17-9-11-7-4-3-5-8-11/h10-12H,2-9,16H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,3,15,19,13,8,14,4,7,10,5,20,12,6,11,9/E:(4,5)(7,8)/rA:20cCCCCCNCCSCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.7175
Area:526.12
Solvation:-1.43555
Coulombic:-42.7278
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:295.445
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.37

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