Chemical ID: 5778350

CC1(CN=C(S1)Nc2ccc(cc2)OC(F)(F)Cl)C
Chemical ID:
5778350
Name [?]:
N-[4-(chloro-difluoro-methoxy)phenyl]-5,5-dimethyl-4H-thiazol-2-amine
SMILES [?]:
CC1(CN=C(S1)Nc2ccc(cc2)OC(F)(F)Cl)C
InChi [?]:
InChI=1/C12H13ClF2N2OS/c1-11(2)7-16-10(19-11)17-8-3-5-9(6-4-8)18-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,9,13,10,12,3,8,11,5,2,15,18,16,17,4,7,14,6/E:(1,2)(3,4)(5,6)(14,15)/rA:19nCCCNCSNCCCCCCOCFFClC/rB:s1;s2;s3;d4;s2s5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s15;s15;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClF2N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.8528
Area:464.7
Solvation:-1.76469
Coulombic:-43.8506
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.76
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.73

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