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Chemical ID: 5144266

Chemical ID:

5144266

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C13H16N2OS/c1-3-11-12(15-13(14)17-11)9-5-7-10(8-6-9)16-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15)

InChi Info:

AuxInfo=1/1/N:1,17,2,16,10,14,11,13,9,12,3,4,6,8,5,15,7/E:(5,6)(7,8)/rA:17nCCCCNCSNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s4;s9;d10;s11;d12;d9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.72199
Area:	440.792
Solvation:	-2.2978
Coulombic:	-31.215

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	248.345
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.48
LogP (Chemaxon):	3.16

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