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Chemical ID: 7255047

Chemical ID:

7255047

Name [?]:

4-[4-(difluoromethoxy)phenyl]-5-methyl-thiazol-2-amine

SMILES [?]:

Cc1c(nc(s1)N)c2ccc(cc2)OC(F)F

InChi [?]:

InChI=1/C11H10F2N2OS/c1-6-9(15-11(14)17-6)7-2-4-8(5-3-7)16-10(12)13/h2-5,10H,1H3,(H2,14,15)

InChi Info:

AuxInfo=1/1/N:1,9,13,10,12,2,8,11,3,15,5,16,17,7,4,14,6/E:(2,3)(4,5)(12,13)/rA:17nCCCNCSNCCCCCCOCFF/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s11;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₀F₂N₂OS
All Atoms:	27
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.20873
Area:	404.699
Solvation:	-2.90875
Coulombic:	-42.8486

Bond Count [?]

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

Chemical Properties

Molecular Weight:	256.273
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.52
LogP (Chemaxon):	3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value