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Chemical ID: 4661446
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
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Experimental Annotations
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Descriptor Annotations
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