Chemical ID: 3928322

Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)C(C)C)C
Chemical ID:
3928322
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)C(C)C)C
InChi [?]:
InChI=1/C13H19N5OS2/c1-7(2)11-16-17-13(18(11)5)20-6-10(19)15-12-14-8(3)9(4)21-12/h7H,6H2,1-5H3,(H,14,15,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,21,17,10,18,2,3,8,15,5,12,6,7,14,13,16,9,11,4/E:(1,2)/rA:21nCCCSCNNCOCSCNNCNCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s16;s15;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N5OS2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0355
Area:541.554
Solvation:-3.50336
Coulombic:-35.5929
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.455
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.33
LogP (Chemaxon):1.9

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