2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C6H6N2O5S — CID 141096674

IUPAC2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NOC(=O)O)sc1C(=O)O
InChIInChI=1S/C6H6N2O5S/c1-2-3(4(9)10)14-5(7-2)8-13-6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyGWYCHLSNZGPHAG-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.17
Rot. Bonds3

About 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 141096674) has the molecular formula C6H6N2O5S and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID141096674
Molecular FormulaC6H6N2O5S
Molecular Weight218.19 g/mol
Exact Mass218.00
IUPAC Name2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NOC(=O)O)sc1C(=O)O
InChIInChI=1S/C6H6N2O5S/c1-2-3(4(9)10)14-5(7-2)8-13-6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyGWYCHLSNZGPHAG-UHFFFAOYSA-N
XLogP1.17
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
4-methyl-2-(2,3,4,5,6-pentafluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 115565223
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569886
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 84761860
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
tert-butyl [(5-carbonochloridoyl-4-methyl-1,3-thiazol-2-yl)amino] carbonate
CID 54333856
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379

Frequently Asked Questions

What is the IUPAC name of 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 141096674) is 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NOC(=O)O)sc1C(=O)O.
What is the InChIKey of 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GWYCHLSNZGPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5S/c1-2-3(4(9)10)14-5(7-2)8-13-6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 218.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141096674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).