Chemical ID: 5459319

CCc1ccc(cc1)Cc2cnc(s2)NC(=O)C3CC3
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

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Descriptor Annotations

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