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Chemical ID: 6379265
Chemical ID:
6379265
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]cyclopentanecarboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)C3CCCC3)Cl
InChi [?]:
InChI=1/C15H15ClN2OS/c16-12-7-5-10(6-8-12)13-9-20-15(17-13)18-14(19)11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:17,18,16,19,1,5,2,4,8,6,15,3,7,13,10,20,11,12,14,9/E:(1,2)(3,4)(5,6)(7,8)/rA:20nCCCCCCCCSCNNCOCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s15s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3385 |
Area: | 501.95 |
Solvation: | -2.21024 |
Coulombic: | -27.9656 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.811 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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