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Chemical ID: 4132887
Chemical ID:
4132887
Name [?]:
4-amino-N,3-diethyl-2-thioxo-thiazole-5-carboxamide
SMILES [?]:
CCNC(=O)c1c(n(c(=S)s1)CC)N
InChi [?]:
InChI=1/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,6,7,4,9,14,3,8,5,10,11/rA:14nCCNCOCCNCSSCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s8;s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13N3OS2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8116 |
Area: | 402.623 |
Solvation: | -1.25397 |
Coulombic: | -46.3169 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.34 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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