Chemical ID: 6004034

CC(C)C(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)C
Chemical ID:
6004034
Name [?]:
2-acetamido-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-butanamide
SMILES [?]:
CC(C)C(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)C
InChi [?]:
InChI=1/C15H18N4O2S/c1-9(2)12(16-10(3)20)13(21)17-15-19-18-14(22-15)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,16,20)(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,22,16,15,17,14,18,2,20,13,4,5,11,8,19,7,10,9,21,6,12/E:(1,2)(5,6)(7,8)/rA:22cCCCCCONCNNCSCCCCCCNCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s4;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.66845
Area:524.447
Solvation:-3.44272
Coulombic:-46.7565
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.82
LogP (Chemaxon):1.92

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Descriptor Annotations

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