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Chemical ID: 6391551
Chemical ID:
6391551
Name [?]:
N-(4,5-dimethylthiazol-2-yl)norbornane-2-carboxamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)C2CC3CCC2C3)C
InChi [?]:
InChI=1/C13H18N2OS/c1-7-8(2)17-13(14-7)15-12(16)11-6-9-3-4-10(11)5-9/h9-11H,3-6H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,13,14,16,11,2,3,12,15,10,8,5,6,7,9,4/rA:17cCCCSCNNCOCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s12s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.23067 |
Area: | 423.346 |
Solvation: | -2.35298 |
Coulombic: | -25.1702 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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