Chemical ID: 6712958

Cc1c(sc(n1)NC)C(=O)[O-]
Chemical ID:
6712958
Name [?]:
4-methyl-2-methylamino-thiazole-5-carboxylate
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)/p-1
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:C6H7N2O2S-
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-33.752
Area:320.174
Solvation:-41.7563
Coulombic:-20.0093
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.198
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.49
LogP (Chemaxon):0.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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