[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate

C12H9FN2O3S — CID 3407042

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1nccs1
InChIInChI=1S/C12H9FN2O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7H2,(H,14,15,16)
InChIKeyCHIRNNWDCXLJQI-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.08
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate (PubChem CID 3407042) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
PubChem CID3407042
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1nccs1
InChIInChI=1S/C12H9FN2O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7H2,(H,14,15,16)
InChIKeyCHIRNNWDCXLJQI-UHFFFAOYSA-N
XLogP2.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
CID 5223064
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 13381341
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
[2-(2-nitroanilino)-2-oxoethyl] 2-fluorobenzoate
CID 5127154
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 3443290

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate (CID 3407042) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate?
The InChIKey is CHIRNNWDCXLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7H2,(H,14,15,16).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate has a molecular weight of 280.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate is sourced from PubChem (CID 3407042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).