Chemical ID: 6181699

CCc1nnc(s1)NC(=O)C(C)Cl
Chemical ID:
6181699
Name [?]:
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-propanamide
SMILES [?]:
CCc1nnc(s1)NC(=O)C(C)Cl
InChi [?]:
InChI=1/C7H10ClN3OS/c1-3-5-10-11-7(13-5)9-6(12)4(2)8/h4H,3H2,1-2H3,(H,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,3,9,6,13,8,4,5,10,7/rA:13cCCCNNCSNCOCCCl/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10ClN3OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.95703
Area:394.719
Solvation:-2.91095
Coulombic:-24.0816
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.693
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.57
LogP (Chemaxon):1.33

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Descriptor Annotations

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