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Chemical ID: 4769623
Chemical ID:
4769623
Name [?]:
N-[4-(2-naphthyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C15H12N2OS/c1-10(18)16-15-17-14(9-19-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,12,11,19,8,2,13,18,10,7,5,4,6,3,9/rA:19nCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71317 |
Area: | 454.232 |
Solvation: | -2.64264 |
Coulombic: | -26.8401 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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