Chemical ID: 6001501

Cc1cnc(s1)NC(=O)CN(CC=C)C(=O)NC(C)(C)C
Chemical ID:
6001501
Name [?]:
2-(allyl-(tert-butylcarbamoyl)amino)-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC=C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H22N4O2S/c1-6-7-18(13(20)17-14(3,4)5)9-11(19)16-12-15-8-10(2)21-12/h6,8H,1,7,9H2,2-5H3,(H,17,20)(H,15,16,19)
InChi Info:
AuxInfo=1/1/N:14,1,19,20,21,13,12,3,10,2,8,5,15,18,4,7,17,11,9,16,6/E:(3,4,5)/rA:21nCCCNCSNCOCNCCCCONCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s11;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.2668
Area:528.599
Solvation:-3.94817
Coulombic:-56.0307
Bond Count [?]
All:21
Single:16
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:310.416
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.57
LogP (Chemaxon):1.35

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