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Chemical ID: 3988653
Chemical ID:
3988653
Name [?]:
[2-(1-aminopropyl)thiazol-4-yl]-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CCC(c1nc(cs1)C(=O)N2CCCCC2C)N
InChi [?]:
InChI=1/C13H21N3OS/c1-3-10(14)12-15-11(8-18-12)13(17)16-7-5-4-6-9(16)2/h8-10H,3-7,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,14,13,15,12,7,16,3,6,4,9,18,5,11,10,8/rA:18cCCCCNCCSCONCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.719 |
Area: | 447.602 |
Solvation: | -1.47105 |
Coulombic: | -37.1036 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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