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Chemical ID: 5249836

Chemical ID:

5249836

Name [?]:

N-(4-phenyl-5-propyl-thiazol-2-yl)acetamide

SMILES [?]:

CCCc1c(nc(s1)NC(=O)C)c2ccccc2

InChi [?]:

InChI=1/C14H16N2OS/c1-3-7-12-13(11-8-5-4-6-9-11)16-14(18-12)15-10(2)17/h4-6,8-9H,3,7H2,1-2H3,(H,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,12,2,16,15,17,3,14,18,10,13,4,5,7,9,6,11,8/E:(5,6)(8,9)/rA:18nCCCCCNCSNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s5;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂OS
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.67887
Area:	456.314
Solvation:	-2.72898
Coulombic:	-26.4986

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	260.356
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.78
LogP (Chemaxon):	3.58

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value