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Chemical ID: 7191875
Chemical ID:
7191875
Name [?]:
N-thiazol-2-yl-1H-pyrazole-3-carboxamide
SMILES [?]:
c1c[nH]nc1C(=O)Nc2nccs2
InChi [?]:
InChI=1/C7H6N4OS/c12-6(5-1-2-9-11-5)10-7-8-3-4-13-7/h1-4H,(H,9,11)(H,8,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,5,6,9,10,3,8,4,7,13/rA:13nCCNNCCONCNCCS/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6N4OS |
All Atoms: | 19 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.06662 |
Area: | 354.128 |
Solvation: | -2.78657 |
Coulombic: | -35.5399 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.25 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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