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Chemical ID: 6181699
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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