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Chemical ID: 6143860

Chemical ID:

6143860

Name [?]:

N-[5-(p-tolylmethyl)thiazol-2-yl]acetamide

SMILES [?]:

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)C

InChi [?]:

InChI=1/C13H14N2OS/c1-9-3-5-11(6-4-9)7-12-8-14-13(17-12)15-10(2)16/h3-6,8H,7H2,1-2H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,17,3,7,4,6,8,10,2,15,5,9,12,11,14,16,13/E:(3,4)(5,6)/rA:17nCCCCCCCCCCNCSNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.95791
Area:	441.416
Solvation:	-3.07749
Coulombic:	-24.8695

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	246.329
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.67
LogP (Chemaxon):	2.78

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