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Chemical ID: 3988658
Chemical ID:
3988658
Name [?]:
[2-(1-aminobutyl)thiazol-4-yl]-azetidin-1-yl-methanone
SMILES [?]:
CCCC(c1nc(cs1)C(=O)N2CCC2)N
InChi [?]:
InChI=1/C11H17N3OS/c1-2-4-8(12)10-13-9(7-16-10)11(15)14-5-3-6-14/h7-8H,2-6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,3,13,15,8,4,7,5,10,16,6,12,11,9/E:(5,6)/rA:16cCCCCCNCCSCONCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s7;d10;s10;s12;s13;s12s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.12297 |
Area: | 433.36 |
Solvation: | -1.71103 |
Coulombic: | -36.4353 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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