Chemical ID: 6179084

CC(C)(C)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
Chemical ID:
6179084
Name [?]:
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H14ClN3OS/c1-13(2,3)11(18)15-12-17-16-10(19-12)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,18,15,17,13,16,11,5,8,2,19,7,10,9,6,12/E:(1,2,3)(4,5)(6,7)/rA:19nCCCCCONCNNCSCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14ClN3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.72103
Area:491.165
Solvation:-2.5581
Coulombic:-26.7381
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.789
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.83
LogP (Chemaxon):3.96

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Descriptor Annotations

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