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Chemical ID: 6001302
Chemical ID:
6001302
Name [?]:
N-cyclopropyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)Nc1ncc(s1)C)C2CC2
InChi [?]:
InChI=1/C14H21N3O2S/c1-3-4-5-13(19)17(11-6-7-11)9-12(18)16-14-15-8-10(2)20-14/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,2,3,4,19,20,14,8,15,18,9,5,12,13,11,7,10,6,16/E:(6,7)/rA:20nCCCCCONCCONCNCCSCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s7;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00572 |
Area: | 517.103 |
Solvation: | -3.92184 |
Coulombic: | -40.3325 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 295.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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