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Chemical ID: 5459671

Chemical ID:

5459671

Name [?]:

N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]acetamide

SMILES [?]:

CC(=O)Nc1ncc(s1)Cc2ccccc2F

InChi [?]:

InChI=1/C12H11FN2OS/c1-8(16)15-12-14-7-10(17-12)6-9-4-2-3-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,13,14,12,15,10,7,2,11,8,16,5,17,6,4,3,9/rA:17nCCONCNCCSCCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₁FN₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	6.71667
Area:	422.956
Solvation:	-3.85721
Coulombic:	-28.3269

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	250.293
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.39
LogP (Chemaxon):	2.45

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