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Chemical ID: 4982216

Chemical ID:

4982216

Name [?]:

4-(4-ethoxy-2,5-dimethyl-phenyl)thiazol-2-amine

SMILES [?]:

CCOc1cc(c(cc1C)c2csc(n2)N)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,17,10,2,8,5,12,6,9,7,11,4,14,16,15,3,13/rA:17nCCOCCCCCCCCCSCNNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s14;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.71568
Area:	440.662
Solvation:	-2.30087
Coulombic:	-30.429

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	248.345
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.04
LogP (Chemaxon):	3.63

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