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Chemical ID: 4133017
Chemical ID:
4133017
Name [?]:
3-allyl-4-amino-N-ethyl-2-thioxo-thiazole-5-carboxamide
SMILES [?]:
CCNC(=O)c1c(n(c(=S)s1)CC=C)N
InChi [?]:
InChI=1/C9H13N3OS2/c1-3-5-12-7(10)6(15-9(12)14)8(13)11-4-2/h3H,1,4-5,10H2,2H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:14,1,13,2,12,6,7,4,9,15,3,8,5,10,11/rA:15nCCNCOCCNCSSCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s8;s12;d13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N3OS2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18686 |
Area: | 420.823 |
Solvation: | -1.33371 |
Coulombic: | -47.8823 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.351 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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