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Chemical ID: 3996559
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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