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Chemical ID: 6216918
Chemical ID:
6216918
Name [?]:
N-[4-(2,5-dichlorophenyl)thiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1nc(cs1)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H14Cl2N2OS/c1-2-3-4-13(19)18-14-17-12(8-20-14)10-7-9(15)5-6-11(10)16/h5-8H,2-4H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,16,17,14,11,15,13,18,10,5,8,20,19,9,7,6,12/rA:20nCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl2N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5823 |
Area: | 522.473 |
Solvation: | -2.47954 |
Coulombic: | -27.1683 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.245 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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