Chemical ID: 3996559

CC(C)(C)c1csc(n1)NC(=O)CC#N
Chemical ID:
3996559
Name [?]:
3-nitrido-N-(4-tert-butylthiazol-2-yl)-propanamide
SMILES [?]:
CC(C)(C)c1csc(n1)NC(=O)CC#N
InChi [?]:
InChI=1/C10H13N3OS/c1-10(2,3)7-6-15-9(12-7)13-8(14)4-5-11/h6H,4H2,1-3H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,6,5,11,8,2,15,9,10,12,7/E:(1,2,3)/rA:15nCCCCCCSCNNCOCCN/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s10;d11;s11;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.78884
Area:410.557
Solvation:-3.4751
Coulombic:-26.4614
Bond Count [?]
All:15
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.47
LogP (Chemaxon):2.86

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