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Chemical ID: 6215796

Chemical ID:

6215796

Name [?]:

N-(5-methyl-4-phenyl-thiazol-2-yl)-3-phenyl-prop-2-enamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C19H16N2OS/c1-14-18(16-10-6-3-7-11-16)21-19(23-14)20-17(22)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,15,21,14,16,20,22,13,17,19,23,11,10,2,12,18,8,3,5,7,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆N₂OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2821
Area:	519.545
Solvation:	-2.70657
Coulombic:	-29.6706

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	320.409
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.95
LogP (Chemaxon):	5.03

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