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Chemical ID: 4121659

Chemical ID:

4121659

Name [?]:

5-ethyl-4-(4-methoxyphenyl)-thiazol-2-amine

SMILES [?]:

CCc1c(nc(s1)N)c2ccc(cc2)OC

InChi [?]:

InChI=1/C12H14N2OS/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14)

InChi Info:

AuxInfo=1/1/N:1,16,2,10,14,11,13,9,12,3,4,6,8,5,15,7/E:(4,5)(6,7)/rA:16nCCCCNCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;s3s6;s6;s4;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄N₂OS
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.94222
Area:	413.391
Solvation:	-2.39255
Coulombic:	-30.9521

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	234.318
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.06
LogP (Chemaxon):	2.82

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