Chemical ID: 3934169

Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)C3CC3)C
Chemical ID:
3934169
Name [?]:
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)C3CC3)C
InChi [?]:
InChI=1/C13H17N5OS2/c1-7-8(2)21-12(14-7)15-10(19)6-20-13-17-16-11(18(13)3)9-4-5-9/h9H,4-6H2,1-3H3,(H,14,15,19)
InChi Info:
AuxInfo=1/1/N:1,21,17,19,20,10,2,3,18,8,15,5,12,6,7,14,13,16,9,11,4/E:(4,5)/rA:21nCCCSCNNCOCSCNNCNCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s16;s15;s18;s18s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N5OS2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.8775
Area:535.424
Solvation:-3.5081
Coulombic:-35.2521
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.439
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):1.4

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Descriptor Annotations

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