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Chemical ID: 7149070
Chemical ID:
7149070
Name [?]:
5-(1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILES [?]:
Cc1cc(nn1C)c2nnc(s2)NC
InChi [?]:
InChI=1/C8H11N5S/c1-5-4-6(12-13(5)3)7-10-11-8(9-2)14-7/h4H,1-3H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,14,7,3,2,4,8,11,13,9,10,5,6,12/rA:14nCCCCNNCCNNCSNC/rB:s1;d2;s3;d4;s2s5;s6;s4;d8;s9;d10;s8s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N5S |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87854 |
Area: | 390.248 |
Solvation: | -1.87767 |
Coulombic: | -21.0778 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.58 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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