Chemical ID: 4661446

Cc1c(sc(n1)NC)C(=O)O
Chemical ID:
4661446
Name [?]:
4-methyl-2-methylamino-thiazole-5-carboxylic acid
SMILES [?]:
Cc1c(sc(n1)NC)C(=O)O
InChi [?]:
InChI=1/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,2,3,9,5,7,6,10,11,4/E:(9,10)/rA:11nCCCSCNNCCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.32162
Area:322.033
Solvation:-1.7292
Coulombic:-44.352
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.206
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.01
LogP (Chemaxon):0.13

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