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Chemical ID: 5459319
Chemical ID:
5459319
Name [?]:
N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
CCc1ccc(cc1)Cc2cnc(s2)NC(=O)C3CC3
InChi [?]:
InChI=1/C16H18N2OS/c1-2-11-3-5-12(6-4-11)9-14-10-17-16(20-14)18-15(19)13-7-8-13/h3-6,10,13H,2,7-9H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,19,20,9,11,3,6,18,10,16,13,12,15,17,14/E:(3,4)(5,6)(7,8)/rA:20nCCCCCCCCCCCNCSNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77126 |
Area: | 507.547 |
Solvation: | -2.91742 |
Coulombic: | -26.2222 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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