Chemical ID: 4276261

c1ccc(cc1)c2csc(n2)NC(=O)C3CCCCC3
Chemical ID:
4276261
Name [?]:
N-(4-phenylthiazol-2-yl)cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C16H18N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,17,19,3,5,16,20,8,4,15,7,13,10,11,12,14,9/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCSCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.88447
Area:482.838
Solvation:-2.18649
Coulombic:-28.2463
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.03
LogP (Chemaxon):4.59

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Descriptor Annotations

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