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Chemical ID: 7464873
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
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Experimental Annotations
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Descriptor Annotations
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