(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid

C8H8ClFN2O3S — CID 21138942

IUPAC(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid
SMILESCc1nc(/C(=N/OCCF)C(=O)O)c(Cl)s1
InChIInChI=1S/C8H8ClFN2O3S/c1-4-11-5(7(9)16-4)6(8(13)14)12-15-3-2-10/h2-3H2,1H3,(H,13,14)/b12-6-
InChIKeySNPVRTJWJUPORD-SDQBBNPISA-N
MW266.68 g/mol
LogP1.88
Rot. Bonds5

About (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid

(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid (PubChem CID 21138942) has the molecular formula C8H8ClFN2O3S and a molecular weight of 266.68 g/mol. Its IUPAC name is (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid
PubChem CID21138942
Molecular FormulaC8H8ClFN2O3S
Molecular Weight266.68 g/mol
Exact Mass265.99
IUPAC Name(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid
SMILESCc1nc(/C(=N/OCCF)C(=O)O)c(Cl)s1
InChIInChI=1S/C8H8ClFN2O3S/c1-4-11-5(7(9)16-4)6(8(13)14)12-15-3-2-10/h2-3H2,1H3,(H,13,14)/b12-6-
InChIKeySNPVRTJWJUPORD-SDQBBNPISA-N
XLogP1.88
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid?
The IUPAC name of (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid (CID 21138942) is (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid.
What is the SMILES notation for (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid?
The canonical SMILES for (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid is Cc1nc(/C(=N/OCCF)C(=O)O)c(Cl)s1.
What is the InChIKey of (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid?
The InChIKey is SNPVRTJWJUPORD-SDQBBNPISA-N. The full InChI is InChI=1S/C8H8ClFN2O3S/c1-4-11-5(7(9)16-4)6(8(13)14)12-15-3-2-10/h2-3H2,1H3,(H,13,14)/b12-6-.
What are the key properties of (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid?
(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid has a molecular weight of 266.68 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid is sourced from PubChem (CID 21138942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).