Chemical ID: 5381837

c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCl)F
Chemical ID:
5381837
Name [?]:
2-chloro-N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCl)F
InChi [?]:
InChI=1/C12H10ClFN2OS/c13-6-11(17)16-12-15-7-9(18-12)5-8-3-1-2-4-10(8)14/h1-4,7H,5-6H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,16,9,5,8,4,14,11,17,18,10,13,15,12/rA:18nCCCCCCCCCNCSNCOCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClFN2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.96901
Area:457.254
Solvation:-4.46234
Coulombic:-28.7943
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.738
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.63
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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