Chemical ID: 6390173

CCSc1nnc(s1)NC(=O)CCl
Chemical ID:
6390173
Name [?]:
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-acetamide
SMILES [?]:
CCSc1nnc(s1)NC(=O)CCl
InChi [?]:
InChI=1/C6H8ClN3OS2/c1-2-12-6-10-9-5(13-6)8-4(11)3-7/h2-3H2,1H3,(H,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,12,10,7,4,13,9,6,5,11,3,8/rA:13nCCSCNNCSNCOCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8ClN3OS2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.16024
Area:412.592
Solvation:-3.15456
Coulombic:-24.7046
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.732
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):1.69

Name Annotations

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Descriptor Annotations

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