Chemical ID: 6499137

CN(C)c1ccc(cc1)C=C2C(=O)N=C(S2)N
Chemical ID:
6499137
Name [?]:
2-amino-5-[(4-dimethylaminophenyl)methylene]thiazol-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N=C(S2)N
InChi [?]:
InChI=1/C12H13N3OS/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(13)17-10/h3-7H,1-2H3,(H2,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,10,7,4,11,12,15,17,14,2,13,16/E:(1,2)(3,4)(5,6)/rA:17nCNCCCCCCCCCCONCSN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.36817
Area:424.648
Solvation:-2.24803
Coulombic:-39.8479
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:247.317
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.53
LogP (Chemaxon):2.23

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