Chemical ID: 7464873

CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
Chemical ID:
7464873
Name [?]:
5-benzothiazol-2-ylamino-N-methyl-1H-imidazole-4-carboxamide
SMILES [?]:
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C12H11N5OS/c1-13-11(18)9-10(15-6-14-9)17-12-16-7-4-2-3-5-8(7)19-12/h2-6H,1H3,(H,13,18)(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,8,13,18,5,6,3,11,2,9,7,12,10,4,19/rA:19nCNCOCCNCNNCNCCCCCCS/rB:s1;s2;d3;s3;d5;s6;s7;s5d8;s6;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5OS
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.38912
Area:453.803
Solvation:-1.95596
Coulombic:-57.5749
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:273.315
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):1.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue