ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4982283

Chemical ID:

4982283

Name [?]:

4-(5-ethyl-2-methoxy-phenyl)thiazol-2-amine

SMILES [?]:

CCc1ccc(c(c1)c2csc(n2)N)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,16,2,4,5,8,10,3,7,9,6,12,14,13,15,11/rA:16nCCCCCCCCCCSCNNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s6;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.33156
Area:	415.198
Solvation:	-3.0484
Coulombic:	-29.6201

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:	2.86
LogP (Chemaxon):	3.22

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