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Chemical ID: 6409700
Chemical ID:
6409700
Name [?]:
N-ethyl-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CCN(c1nc(cs1)c2ccccc2)C(=O)C
InChi [?]:
InChI=1/C13H14N2OS/c1-3-15(10(2)16)13-14-12(9-17-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,12,11,13,10,14,7,15,9,6,4,5,3,16,8/E:(5,6)(7,8)/rA:17nCCNCNCCSCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8753 |
Area: | 426.381 |
Solvation: | -2.78422 |
Coulombic: | -21.8675 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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