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Chemical ID: 7253497
Chemical ID:
7253497
Name [?]:
2-methyl-N-(4-phenylthiazol-2-yl)-cyclopropane-1-carboxamide
SMILES [?]:
CC1CC1C(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C14H14N2OS/c1-9-7-11(9)13(17)16-14-15-12(8-18-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,3,11,2,13,4,10,5,8,9,7,6,12/E:(3,4)(5,6)/rA:18cCCCCCONCNCCSCCCCCC/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2OS |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.01813 |
Area: | 448.014 |
Solvation: | -2.18222 |
Coulombic: | -27.5413 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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