Chemical ID: 4455985

CC(C)CC(=O)Nc1nc(cs1)C(C)(C)C
Chemical ID:
4455985
Name [?]:
3-methyl-N-(4-tert-butylthiazol-2-yl)-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1nc(cs1)C(C)(C)C
InChi [?]:
InChI=1/C12H20N2OS/c1-8(2)6-10(15)14-11-13-9(7-16-11)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,16,4,11,2,10,5,8,13,9,7,6,12/E:(1,2)(3,4,5)/rA:16nCCCCCONCNCCSCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.85414
Area:434.77
Solvation:-2.01512
Coulombic:-26.4383
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.366
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.47
LogP (Chemaxon):4.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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