(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'}

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Related Compounds

2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
CID 173070149
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
CID 54314875
(2E)-2-[5-chloro-2-(methylamino)-1,3-thiazol-4-yl]-2-[3-(methylamino)propoxyimino]acetic acid
CID 90860149
(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]oxyiminoacetic acid;2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-oxoacetic acid
CID 172935568
(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193915
2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxyimino]acetic acid
CID 72977468
5-(5-chloro-2-methyl-1,3-thiazol-4-yl)-5-oxopentanamide
CID 160931303
2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
CID 54403172
(7R)-7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 86585660
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032
(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
CID 67739189
2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methoxyimino]acetic acid
CID 54046103

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).