Chemical ID: 4250676

Cc1cc(nc(n1)SCc2nnc(s2)NC)C
Chemical ID:
4250676
Name [?]:
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILES [?]:
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
InChi [?]:
InChI=1/C10H13N5S2/c1-6-4-7(2)13-10(12-6)16-5-8-14-15-9(11-3)17-8/h4H,5H2,1-3H3,(H,11,15)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,9,2,4,10,13,6,15,7,5,11,12,8,14/E:(1,2)(6,7)(12,13)/rA:17nCCCCNCNSCCNNCSNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s10s13;s13;s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.68508
Area:466.962
Solvation:-1.98898
Coulombic:-27.2929
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.376
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.57
LogP (Chemaxon):0.8

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Descriptor Annotations

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