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Chemical ID: 5940323
Chemical ID:
5940323
Name [?]:
N-[4-(2-allylaminothiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILES [?]:
C=CCNc1nc(cs1)c2ccc(cc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C17H15N3OS2/c1-2-9-18-17-20-14(11-23-17)12-5-7-13(8-6-12)19-16(21)15-4-3-10-22-15/h2-8,10-11H,1,9H2,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,11,15,12,14,3,22,8,10,13,7,19,17,5,4,16,6,18,23,9/E:(5,6)(7,8)/rA:23nCCCNCNCCSCCCCCCNCOCCCCS/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9001 |
Area: | 568.651 |
Solvation: | -2.31616 |
Coulombic: | -42.8493 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 341.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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