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Chemical ID: 4152631

Chemical ID:

4152631

Name [?]:

N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-phenyl-propanamide

SMILES [?]:

Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCc3ccccc3)C

InChi [?]:

InChI=1/C20H20N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,24,21,20,22,19,23,3,7,17,4,6,16,2,9,18,5,14,8,11,13,12,15,10/E:(4,5)(6,7)(8,9)(11,12)/rA:24nCCCCCCCCCSCNNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6669
Area:	566.36
Solvation:	-2.49213
Coulombic:	-28.6131

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	336.452
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.1
LogP (Chemaxon):	5.42

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