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Chemical ID: 6004395
Chemical ID:
6004395
Name [?]:
2-(dimethylcarbamoylamino)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-propanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)N(C)C
InChi [?]:
InChI=1/C15H19N5O2S/c1-9-6-5-7-11(8-9)13-18-19-14(23-13)17-12(21)10(2)16-15(22)20(3)4/h5-8,10H,1-4H3,(H,16,22)(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,22,23,4,3,5,7,2,16,6,14,8,11,19,18,13,9,10,21,15,20,12/E:(3,4)/rA:23cCCCCCCCCNNCSNCOCCNCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N5O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4446 |
Area: | 556.571 |
Solvation: | -3.4697 |
Coulombic: | -56.1068 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.41 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.38 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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