Chemical ID: 4596824

CC(=O)N(c1nc(cs1)c2ccccc2)C(=O)C
Chemical ID:
4596824
Name [?]:
N-acetyl-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CC(=O)N(c1nc(cs1)c2ccccc2)C(=O)C
InChi [?]:
InChI=1/C13H12N2O2S/c1-9(16)15(10(2)17)13-14-12(8-18-13)11-6-4-3-5-7-11/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,13,12,14,11,15,8,2,16,10,7,5,6,4,3,17,9/E:(1,2)(4,5)(6,7)(9,10)(16,17)/rA:18nCCONCNCCSCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s4;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.35575
Area:424.46
Solvation:-2.25576
Coulombic:-30.9255
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.313
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.7
LogP (Chemaxon):2.24

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Descriptor Annotations

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