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Chemical ID: 6218167
Chemical ID:
6218167
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-2-3-12(17)16-13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,17,14,16,10,12,15,9,4,7,18,8,6,5,11/E:(4,5)(6,7)/rA:18nCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68779 |
Area: | 480.031 |
Solvation: | -2.313 |
Coulombic: | -27.3165 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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