Chemical ID: 3961307

Cc1ccccc1c2nnc(s2)N(C)C(=O)CC(C)C
Chemical ID:
3961307
Name [?]:
N,3-dimethyl-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccccc1c2nnc(s2)N(C)C(=O)CC(C)C
InChi [?]:
InChI=1/C15H19N3OS/c1-10(2)9-13(19)18(4)15-17-16-14(20-15)12-8-6-5-7-11(12)3/h5-8,10H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,14,4,5,3,6,17,18,2,7,15,8,11,9,10,13,16,12/E:(1,2)/rA:20nCCCCCCCCNNCSNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s13;d15;s15;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.52835
Area:487.631
Solvation:-2.66242
Coulombic:-22.0951
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.397
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.37
LogP (Chemaxon):3.18

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