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Chemical ID: 5778350
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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