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Chemical ID: 4185606

Chemical ID:

4185606

Name [?]:

N-benzyl-N'-thiazol-2-yl-oxamide

SMILES [?]:

c1ccc(cc1)CNC(=O)C(=O)Nc2nccs2

InChi [?]:

InChI=1/C12H11N3O2S/c16-10(11(17)15-12-13-6-7-18-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,16)(H,13,15,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,16,17,7,4,9,11,14,15,8,13,10,12,18/E:(2,3)(4,5)/rA:18nCCCCCCCNCOCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₁N₃O₂S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.836
Area:	459.62
Solvation:	-2.65451
Coulombic:	-52.2317

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	261.301
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.74
LogP (Chemaxon):	1.72

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