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Chemical ID: 6216264
Chemical ID:
6216264
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-2-3-4-13(18)17-14-16-12(9-19-14)10-5-7-11(15)8-6-10/h5-9H,2-4H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,14,18,15,17,11,13,16,10,5,8,19,9,7,6,12/E:(5,6)(7,8)/rA:19nCCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3453 |
Area: | 507.008 |
Solvation: | -2.32993 |
Coulombic: | -27.6173 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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