Chemical ID: 4133017

CCNC(=O)c1c(n(c(=S)s1)CC=C)N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue