(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid

C7H8N2O3S — CID 137275633

IUPAC(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid
SMILESCc1nc(/C(=N/O)C(=O)O)sc1C
InChIInChI=1S/C7H8N2O3S/c1-3-4(2)13-6(8-3)5(9-12)7(10)11/h12H,1-2H3,(H,10,11)/b9-5-
InChIKeySJSQTWBRNWPQID-UITAMQMPSA-N
MW200.22 g/mol
LogP1.02
Rot. Bonds2

About (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid

(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid (PubChem CID 137275633) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid
PubChem CID137275633
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid
SMILESCc1nc(/C(=N/O)C(=O)O)sc1C
InChIInChI=1S/C7H8N2O3S/c1-3-4(2)13-6(8-3)5(9-12)7(10)11/h12H,1-2H3,(H,10,11)/b9-5-
InChIKeySJSQTWBRNWPQID-UITAMQMPSA-N
XLogP1.02
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid?
The IUPAC name of (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid (CID 137275633) is (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid.
What is the SMILES notation for (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid?
The canonical SMILES for (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid is Cc1nc(/C(=N/O)C(=O)O)sc1C.
What is the InChIKey of (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid?
The InChIKey is SJSQTWBRNWPQID-UITAMQMPSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-3-4(2)13-6(8-3)5(9-12)7(10)11/h12H,1-2H3,(H,10,11)/b9-5-.
What are the key properties of (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid?
(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid has a molecular weight of 200.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid is sourced from PubChem (CID 137275633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).