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Chemical ID: 6835841
Chemical ID:
6835841
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(c(s1)C)c2cccc(c2)Cl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-3-11(17)15-13-16-12(8(2)18-13)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,2,14,13,15,17,9,12,16,3,8,6,18,5,7,4,10/rA:18nCCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2OS |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49218 |
Area: | 467.575 |
Solvation: | -2.1972 |
Coulombic: | -27.1392 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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