Chemical ID: 5159155

c1cnccc1c2n[nH]c(=O)s2
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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Descriptor Annotations

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