Chemical ID: 4132887

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

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