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Chemical ID: 5838495
Chemical ID:
5838495
Name [?]:
N-(4-amino-2-methyl-phenyl)thiophene-2-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2cccs2)N
InChi [?]:
InChI=1/C12H12N2OS/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,5,6,14,3,2,4,7,11,9,16,8,10,15/rA:16nCCCCCCCNCOCCCCSN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57211 |
Area: | 411.161 |
Solvation: | -1.70693 |
Coulombic: | -39.1237 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.303 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.0 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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