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Chemical ID: 4416830

Chemical ID:

4416830

Name [?]:

N-(p-tolylmethyl)-N'-thiazol-2-yl-oxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C(=O)Nc2nccs2

InChi [?]:

InChI=1/C13H13N3O2S/c1-9-2-4-10(5-3-9)8-15-11(17)12(18)16-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,17,18,8,2,5,10,12,15,16,9,14,11,13,19/E:(2,3)(4,5)/rA:19nCCCCCCCCNCOCONCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s12;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃N₃O₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.41807
Area:	484.192
Solvation:	-2.68673
Coulombic:	-51.9748

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	275.327
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.18
LogP (Chemaxon):	2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value