Chemical ID: 6177672

Cc1cc(c(c(c1)C)c2nnc(s2)NC(=O)C(C)C)C
Chemical ID:
6177672
Name [?]:
2-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]-propanamide
SMILES [?]:
Cc1cc(c(c(c1)C)c2nnc(s2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C15H19N3OS/c1-8(2)13(19)16-15-18-17-14(20-15)12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:18,19,1,8,20,7,3,17,2,6,4,5,15,9,12,14,10,11,16,13/E:(1,2)(4,5)(6,7)(10,11)/rA:20nCCCCCCCCCNNCSNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.6438
Area:488.937
Solvation:-2.57963
Coulombic:-25.6599
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.397
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.32
LogP (Chemaxon):4.18

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Descriptor Annotations

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