Chemical ID: 5646414

CCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
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

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