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Chemical ID: 5613682
Chemical ID:
5613682
Name [?]:
N-[4-(1-naphthyl)-3H-thiazol-2-ylidene]acetamide
SMILES [?]:
CC(=O)N=c1[nH]c(cs1)c2cccc3c2cccc3
InChi [?]:
InChI=1/C15H12N2OS/c1-10(18)16-15-17-14(9-19-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,12,19,13,16,11,8,2,14,15,10,7,5,4,6,3,9/rA:19nCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;w4;s5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27687 |
Area: | 443.39 |
Solvation: | -1.80789 |
Coulombic: | -28.7118 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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