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Chemical ID: 7271390
Chemical ID:
7271390
Name [?]:
N-[4-(2-pyridyl)thiazol-2-yl]cyclopentanecarboxamide
SMILES [?]:
c1ccnc(c1)c2csc(n2)NC(=O)C3CCCC3
InChi [?]:
InChI=1/C14H15N3OS/c18-13(10-5-1-2-6-10)17-14-16-12(9-19-14)11-7-3-4-8-15-11/h3-4,7-10H,1-2,5-6H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,2,16,19,6,3,8,15,5,7,13,10,4,11,12,14,9/E:(1,2)(5,6)/rA:19nCCCNCCCCSCNNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3OS |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27185 |
Area: | 464.783 |
Solvation: | -2.34773 |
Coulombic: | -32.116 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.29 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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