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Chemical ID: 4132881
Chemical ID:
4132881
Name [?]:
4-amino-3-ethyl-N-methyl-2-thioxo-thiazole-5-carboxamide
SMILES [?]:
CCn1c(c(sc1=S)C(=O)NC)N
InChi [?]:
InChI=1/C7H11N3OS2/c1-3-10-5(8)4(6(11)9-2)13-7(10)12/h3,8H2,1-2H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,12,2,5,4,9,7,13,11,3,10,8,6/rA:13nCCNCCSCSCONCN/rB:s1;s2;s3;d4;s5;s3s6;d7;s5;d9;s9;s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11N3OS2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06424 |
Area: | 374.837 |
Solvation: | -1.30669 |
Coulombic: | -46.0701 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.314 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.91 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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