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Chemical ID: 7196958
Chemical ID:
7196958
Name [?]:
4-(1,3-dimethylpyrazol-4-yl)thiazol-2-amine
SMILES [?]:
Cc1c(cn(n1)C)c2csc(n2)N
InChi [?]:
InChI=1/C8H10N4S/c1-5-6(3-12(2)11-5)7-4-13-8(9)10-7/h3-4H,1-2H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,4,9,2,3,8,11,13,12,6,5,10/rA:13nCCCCNNCCCSCNN/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s9;s10;s8d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N4S |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.70696 |
Area: | 357.096 |
Solvation: | -2.22044 |
Coulombic: | -25.244 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.68 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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