5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid

C7H10N2O5S — CID 66641771

IUPAC5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1CCON(O)O
InChIInChI=1S/C7H10N2O5S/c1-4-5(2-3-14-9(12)13)15-6(8-4)7(10)11/h12-13H,2-3H2,1H3,(H,10,11)
InChIKeyBFEGCZCUYFARGT-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.70
Rot. Bonds5

About 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid

5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 66641771) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID66641771
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1CCON(O)O
InChIInChI=1S/C7H10N2O5S/c1-4-5(2-3-14-9(12)13)15-6(8-4)7(10)11/h12-13H,2-3H2,1H3,(H,10,11)
InChIKeyBFEGCZCUYFARGT-UHFFFAOYSA-N
XLogP0.70
TPSA103.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-(2-phosphonooxyethyl)-1,3-thiazole-2-carboxylic acid
CID 46942369
5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
CID 66641574
5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole
CID 66641645
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide
CID 66641598
5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole
CID 66641593
1-[[5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazol-2-yl]amino]heptadecan-2-one
CID 89295331
2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate
CID 12513480
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid
CID 165447400
2-[4-methyl-2-[[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-5-yl]ethyl nitrate
CID 11710832
2-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethyl benzoate
CID 154372833
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]butanoic acid
CID 83893330

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid (CID 66641771) is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid is Cc1nc(C(=O)O)sc1CCON(O)O.
What is the InChIKey of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is BFEGCZCUYFARGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S/c1-4-5(2-3-14-9(12)13)15-6(8-4)7(10)11/h12-13H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid?
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 66641771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).