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Chemical ID: 5646414
Chemical ID:
5646414
Name [?]:
N-[4-(2-naphthyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C16H14N2OS/c1-2-15(19)18-16-17-14(10-20-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,13,12,20,9,14,19,11,8,3,6,7,5,4,10/rA:20nCCCONCNCCSCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31378 |
Area: | 475.152 |
Solvation: | -2.56502 |
Coulombic: | -27.4939 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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