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Chemical ID: 5624673
Chemical ID:
5624673
Name [?]:
N-[4-(4-methoxy-2-methyl-phenyl)thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
Cc1cc(ccc1c2csc(n2)NC(=O)c3cccs3)OC
InChi [?]:
InChI=1/C16H14N2O2S2/c1-10-8-11(20-2)5-6-12(10)13-9-22-16(17-13)18-15(19)14-4-3-7-21-14/h3-9H,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,18,17,5,6,19,3,9,2,4,7,8,16,14,11,12,13,15,21,20,10/rA:22nCCCCCCCCCSCNNCOCCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;d16;s17;d18;s16s19;s4;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70434 |
Area: | 524.438 |
Solvation: | -3.4066 |
Coulombic: | -35.9211 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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