2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid

C7H8N2O3S — CID 104771692

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
SMILESCc1csc(C=NOCC(=O)O)n1
InChIInChI=1S/C7H8N2O3S/c1-5-4-13-6(9-5)2-8-12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11)
InChIKeyNAOZLSPMEKUPAB-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.89
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid

2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid (PubChem CID 104771692) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
PubChem CID104771692
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
SMILESCc1csc(C=NOCC(=O)O)n1
InChIInChI=1S/C7H8N2O3S/c1-5-4-13-6(9-5)2-8-12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11)
InChIKeyNAOZLSPMEKUPAB-UHFFFAOYSA-N
XLogP0.89
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 136739066
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
CID 104823667
2-[(5-methylfuran-2-yl)methylideneamino]oxyacetic acid
CID 77013391
2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
CID 77013325
(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55266811
[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea
CID 119093932
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
CID 131842856
CID 131842856
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-(pyrimidin-4-ylmethylideneamino)oxyacetic acid
CID 77014531
2-[(E)-[tert-butyl(dimethyl)silyl]oxyiminomethyl]-1,3-thiazole-4-carboxylic acid
CID 11471710
2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 149383039

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid (CID 104771692) is 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid is Cc1csc(C=NOCC(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid?
The InChIKey is NAOZLSPMEKUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-5-4-13-6(9-5)2-8-12-3-7(10)11/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid?
2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid has a molecular weight of 200.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 104771692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).