(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

C8H10N2O4S — CID 135193915

IUPAC(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(/C(=N/OCCO)C(=O)O)cs1
InChIInChI=1S/C8H10N2O4S/c1-5-9-6(4-15-5)7(8(12)13)10-14-3-2-11/h4,11H,2-3H2,1H3,(H,12,13)/b10-7-
InChIKeyOCZFSCYPVICTES-YFHOEESVSA-N
MW230.24 g/mol
LogP0.25
Rot. Bonds5

About (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 135193915) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
PubChem CID135193915
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(/C(=N/OCCO)C(=O)O)cs1
InChIInChI=1S/C8H10N2O4S/c1-5-9-6(4-15-5)7(8(12)13)10-14-3-2-11/h4,11H,2-3H2,1H3,(H,12,13)/b10-7-
InChIKeyOCZFSCYPVICTES-YFHOEESVSA-N
XLogP0.25
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (CID 135193915) is (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is Cc1nc(/C(=N/OCCO)C(=O)O)cs1.
What is the InChIKey of (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is OCZFSCYPVICTES-YFHOEESVSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-5-9-6(4-15-5)7(8(12)13)10-14-3-2-11/h4,11H,2-3H2,1H3,(H,12,13)/b10-7-.
What are the key properties of (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 230.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 135193915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).