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Chemical ID: 6157163

Chemical ID:

6157163

Name [?]:

2-benzylsulfanyl-N-(5-ethyl-4-phenyl-thiazol-2-yl)-acetamide

SMILES [?]:

CCc1c(nc(s1)NC(=O)CSCc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C20H20N2OS2/c1-2-17-19(16-11-7-4-8-12-16)22-20(25-17)21-18(23)14-24-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,17,23,16,18,22,24,15,19,21,25,13,11,14,20,3,9,4,6,8,5,10,12,7/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCNCSNCOCSCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂OS₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1012
Area:	602.396
Solvation:	-3.95869
Coulombic:	-28.8808

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.518
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.17
LogP (Chemaxon):	5.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value