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Chemical ID: 3987767
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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