Chemical ID: 4172860

c1ccc(cc1)NC(=O)Nc2cnns2
Chemical ID:
4172860
Name [?]:
1-phenyl-3-thiadiazol-5-yl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2cnns2
InChi [?]:
InChI=1/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,4,11,8,13,7,10,14,9,15/E:(2,3)(4,5)/rA:15nCCCCCCNCONCCNNS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.90703
Area:383.688
Solvation:-2.68516
Coulombic:-35.4549
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.252
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):1.43

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Descriptor Annotations

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