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Chemical ID: 3934169
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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