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Chemical ID: 4592900
Chemical ID:
4592900
Name [?]:
N-(2-dimethylaminoethyl)-N'-(4-phenylthiazol-2-yl)-oxamide
SMILES [?]:
CN(C)CCNC(=O)C(=O)Nc1nc(cs1)c2ccccc2
InChi [?]:
InChI=1/C15H18N4O2S/c1-19(2)9-8-16-13(20)14(21)18-15-17-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,5,4,15,17,14,7,9,12,6,13,11,2,8,10,16/E:(1,2)(4,5)(6,7)/rA:22nCNCCCNCOCONCNCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9778 |
Area: | 546.789 |
Solvation: | -2.69195 |
Coulombic: | -58.0268 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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