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Chemical ID: 6007451
Chemical ID:
6007451
Name [?]:
N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C
InChi [?]:
InChI=1/C13H21N3O2S/c1-4-5-6-7-16(11(3)17)9-12(18)15-13-14-8-10(2)19-13/h8H,4-7,9H2,1-3H3,(H,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,16,19,2,3,4,5,13,7,14,17,8,11,12,10,6,18,9,15/rA:19nCCCCCNCCONCNCCSCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41787 |
Area: | 510.254 |
Solvation: | -4.33848 |
Coulombic: | -39.6254 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.93 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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