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Chemical ID: 6001270
Chemical ID:
6001270
Name [?]:
N-isopropyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)Nc1ncc(s1)C)C(C)C
InChi [?]:
InChI=1/C15H25N3O2S/c1-5-6-7-8-14(20)18(11(2)3)10-13(19)17-15-16-9-12(4)21-15/h9,11H,5-8,10H2,1-4H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,21,18,2,3,4,5,15,9,19,16,10,6,13,14,12,8,11,7,17/E:(2,3)/rA:21nCCCCCCONCCONCNCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s8;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25N3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69883 |
Area: | 546.74 |
Solvation: | -3.96967 |
Coulombic: | -40.8067 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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