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Chemical ID: 6001501
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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