Chemical ID: 6004395

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)N(C)C
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

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Descriptor Annotations

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