Chemical ID: 4784123

Cc1csc(=NC)n1NC(=O)Nc2ccc(cc2)Cl
Chemical ID:
4784123
Name [?]:
3-(4-chlorophenyl)-1-(4-methyl-2-methylimino-thiazol-3-yl)-urea
SMILES [?]:
Cc1csc(=NC)n1NC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H13ClN4OS/c1-8-7-19-12(14-2)17(8)16-11(18)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,15,17,14,18,3,2,16,13,10,5,19,6,12,9,8,11,4/E:(3,4)(5,6)/rA:19nCCCSCNCNNCONCCCCCCCl/rB:s1;d2;s3;s4;w5;s6;s2s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClN4OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.85312
Area:481.924
Solvation:-3.19499
Coulombic:-40.9252
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:296.777
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):2.43

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Descriptor Annotations

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