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Chemical ID: 5159155
Chemical ID:
5159155
Name [?]:
5-(4-pyridyl)-3H-1,3,4-thiadiazol-2-one
SMILES [?]:
c1cnccc1c2n[nH]c(=O)s2
InChi [?]:
InChI=1/C7H5N3OS/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,7,10,3,8,9,11,12/E:(1,2)(3,4)/rA:12nCCNCCCCNNCOS/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5N3OS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.15459 |
Area: | 331.801 |
Solvation: | -2.14043 |
Coulombic: | -25.7634 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 179.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.89 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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